N-[2-[2-[4-[amino-[4-[2-[2-[[3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzoyl]amino]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethyl]-3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzamide

C115H199N3O10 — CID 166791423

IUPACN-[2-[2-[4-[amino-[4-[2-[2-[[3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzoyl]amino]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethyl]-3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzamide
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)CCOc1cc(OCCC(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)cc(C(=O)NCCOCCOc2ccc(C(N)c3ccc(OCCOCCNC(=O)c4cc(OCCC(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)cc(OCCC(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c4)cc3)cc2)c1
InChIInChI=1S/C115H199N3O10/c1-87(2)33-21-37-91(9)41-25-45-95(13)49-29-53-99(17)65-71-123-109-81-105(82-110(85-109)124-72-66-100(18)54-30-50-96(14)46-26-42-92(10)38-22-34-88(3)4)114(119)117-69-75-121-77-79-127-107-61-57-103(58-62-107)113(116)104-59-63-108(64-60-104)128-80-78-122-76-70-118-115(120)106-83-111(125-73-67-101(19)55-31-51-97(15)47-27-43-93(11)39-23-35-89(5)6)86-112(84-106)126-74-68-102(20)56-32-52-98(16)48-28-44-94(12)40-24-36-90(7)8/h57-64,81-102,113H,21-56,65-80,116H2,1-20H3,(H,117,119)(H,118,120)/t91-,92-,93-,94-,95-,96-,97-,98-,99?,100?,101?,102?,113?/m1/s1
InChIKeyJJYSOJVFNNOOPD-UVHDVEKXSA-N
MW1783.87 g/mol
LogP31.76
Rot. Bonds82

About N-[2-[2-[4-[amino-[4-[2-[2-[[3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzoyl]amino]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethyl]-3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzamide

N-[2-[2-[4-[amino-[4-[2-[2-[[3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzoyl]amino]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethyl]-3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzamide (PubChem CID 166791423) has the molecular formula C115H199N3O10 and a molecular weight of 1783.87 g/mol. Its IUPAC name is N-[2-[2-[4-[amino-[4-[2-[2-[[3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzoyl]amino]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethyl]-3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzamide.

Molecular Properties

Compound NameN-[2-[2-[4-[amino-[4-[2-[2-[[3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzoyl]amino]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethyl]-3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzamide
PubChem CID166791423
Molecular FormulaC115H199N3O10
Molecular Weight1783.87 g/mol
Exact Mass1782.52
IUPAC NameN-[2-[2-[4-[amino-[4-[2-[2-[[3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzoyl]amino]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethyl]-3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzamide
SMILESCC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)CCOc1cc(OCCC(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)cc(C(=O)NCCOCCOc2ccc(C(N)c3ccc(OCCOCCNC(=O)c4cc(OCCC(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)cc(OCCC(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c4)cc3)cc2)c1
InChIInChI=1S/C115H199N3O10/c1-87(2)33-21-37-91(9)41-25-45-95(13)49-29-53-99(17)65-71-123-109-81-105(82-110(85-109)124-72-66-100(18)54-30-50-96(14)46-26-42-92(10)38-22-34-88(3)4)114(119)117-69-75-121-77-79-127-107-61-57-103(58-62-107)113(116)104-59-63-108(64-60-104)128-80-78-122-76-70-118-115(120)106-83-111(125-73-67-101(19)55-31-51-97(15)47-27-43-93(11)39-23-35-89(5)6)86-112(84-106)126-74-68-102(20)56-32-52-98(16)48-28-44-94(12)40-24-36-90(7)8/h57-64,81-102,113H,21-56,65-80,116H2,1-20H3,(H,117,119)(H,118,120)/t91-,92-,93-,94-,95-,96-,97-,98-,99?,100?,101?,102?,113?/m1/s1
InChIKeyJJYSOJVFNNOOPD-UVHDVEKXSA-N
XLogP31.76
TPSA158.06 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds82
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001783.87
LogP ≤ 531.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[2-[4-[amino-[4-[2-[2-[[3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzoyl]amino]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethyl]-3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzamide with MolForge

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Related Compounds

3,4,5-tris(3,7-dimethyloctoxy)-N-[2-[4-[[4-[2-[[3,4,5-tris(3,7-dimethyloctoxy)benzoyl]amino]ethoxy]phenyl]diazenyl]phenoxy]ethyl]benzamide
CID 132533387
N-[2-[4-cyano-2-[2-[[3,4,5-tris[(3S)-3,7-dimethyloctoxy]benzoyl]amino]ethylsulfanyl]phenyl]sulfanylethyl]-3,4,5-tris[(3S)-3,7-dimethyloctoxy]benzamide
CID 132574418
N-(3-hydroxypropyl)-4-(3-methylbutoxy)benzamide
CID 78796548
2,6-diacetamido-N-[2-[2-[4-[amino(phenyl)methyl]phenoxy]ethoxy]ethyl]hexanamide
CID 154993764
N-(3-hydroxypropyl)-4-(16-methylheptadecoxy)benzamide
CID 139715444
N-[2-(2-aminoethoxy)ethyl]-4-butoxybenzamide
CID 63755737
[4-(4-hydroxyphenoxy)carbonylphenyl] 4-[(3S)-3,7-dimethyloctoxy]benzoate
CID 138718417
3-[[4-(16-methylheptadecoxy)benzoyl]amino]propanoic acid
CID 139715406
3,5-bis[[4-[[4-[(3R)-3,7-dimethyloctoxy]phenyl]diazenyl]benzoyl]oxy]benzoic acid
CID 102470579
N-[2-(ethylamino)ethyl]-4-(3-methylbutoxy)benzamide
CID 119507309
3,4,5-trimethoxy-N-[2-(4-propan-2-ylphenoxy)ethyl]benzamide
CID 113100338
3-(3-butoxy-3-methylbutoxy)-N-(2-hydroxyethyl)-5-(3-methylbutoxy)benzamide
CID 163428475

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-[amino-[4-[2-[2-[[3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzoyl]amino]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethyl]-3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzamide?
The IUPAC name of N-[2-[2-[4-[amino-[4-[2-[2-[[3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzoyl]amino]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethyl]-3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzamide (CID 166791423) is N-[2-[2-[4-[amino-[4-[2-[2-[[3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzoyl]amino]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethyl]-3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzamide.
What is the SMILES notation for N-[2-[2-[4-[amino-[4-[2-[2-[[3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzoyl]amino]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethyl]-3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzamide?
The canonical SMILES for N-[2-[2-[4-[amino-[4-[2-[2-[[3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzoyl]amino]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethyl]-3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzamide is CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)CCOc1cc(OCCC(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)cc(C(=O)NCCOCCOc2ccc(C(N)c3ccc(OCCOCCNC(=O)c4cc(OCCC(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)cc(OCCC(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c4)cc3)cc2)c1.
What is the InChIKey of N-[2-[2-[4-[amino-[4-[2-[2-[[3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzoyl]amino]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethyl]-3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzamide?
The InChIKey is JJYSOJVFNNOOPD-UVHDVEKXSA-N. The full InChI is InChI=1S/C115H199N3O10/c1-87(2)33-21-37-91(9)41-25-45-95(13)49-29-53-99(17)65-71-123-109-81-105(82-110(85-109)124-72-66-100(18)54-30-50-96(14)46-26-42-92(10)38-22-34-88(3)4)114(119)117-69-75-121-77-79-127-107-61-57-103(58-62-107)113(116)104-59-63-108(64-60-104)128-80-78-122-76-70-118-115(120)106-83-111(125-73-67-101(19)55-31-51-97(15)47-27-43-93(11)39-23-35-89(5)6)86-112(84-106)126-74-68-102(20)56-32-52-98(16)48-28-44-94(12)40-24-36-90(7)8/h57-64,81-102,113H,21-56,65-80,116H2,1-20H3,(H,117,119)(H,118,120)/t91-,92-,93-,94-,95-,96-,97-,98-,99?,100?,101?,102?,113?/m1/s1.
What are the key properties of N-[2-[2-[4-[amino-[4-[2-[2-[[3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzoyl]amino]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethyl]-3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzamide?
N-[2-[2-[4-[amino-[4-[2-[2-[[3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzoyl]amino]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethyl]-3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzamide has a molecular weight of 1783.87 g/mol, XLogP of 31.76, 82 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-[amino-[4-[2-[2-[[3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzoyl]amino]ethoxy]ethoxy]phenyl]methyl]phenoxy]ethoxy]ethyl]-3,5-bis[(7R,11R)-3,7,11,15-tetramethylhexadecoxy]benzamide is sourced from PubChem (CID 166791423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).