N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N-ethyl-2,2-dimethylpropanamide

C27H48N2O5 — CID 68577199

IUPACN-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N-ethyl-2,2-dimethylpropanamide
SMILESCCN(CC(O)C(N)CC(Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C27H48N2O5/c1-9-29(26(31)27(4,5)6)18-23(30)22(28)17-21(19(2)3)15-20-11-12-24(33-8)25(16-20)34-14-10-13-32-7/h11-12,16,19,21-23,30H,9-10,13-15,17-18,28H2,1-8H3
InChIKeyKBIRHMDDKXYNTK-UHFFFAOYSA-N
MW480.69 g/mol
LogP3.90
Rot. Bonds15

About N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N-ethyl-2,2-dimethylpropanamide

N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N-ethyl-2,2-dimethylpropanamide (PubChem CID 68577199) has the molecular formula C27H48N2O5 and a molecular weight of 480.69 g/mol. Its IUPAC name is N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N-ethyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N-ethyl-2,2-dimethylpropanamide
PubChem CID68577199
Molecular FormulaC27H48N2O5
Molecular Weight480.69 g/mol
Exact Mass480.36
IUPAC NameN-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N-ethyl-2,2-dimethylpropanamide
SMILESCCN(CC(O)C(N)CC(Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(=O)C(C)(C)C
InChIInChI=1S/C27H48N2O5/c1-9-29(26(31)27(4,5)6)18-23(30)22(28)17-21(19(2)3)15-20-11-12-24(33-8)25(16-20)34-14-10-13-32-7/h11-12,16,19,21-23,30H,9-10,13-15,17-18,28H2,1-8H3
InChIKeyKBIRHMDDKXYNTK-UHFFFAOYSA-N
XLogP3.90
TPSA94.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.69
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N,2,2-trimethylpropanamide;hydrochloride
CID 68576959
(4S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-8-methyl-2-propan-2-ylnonanoic acid
CID 69124922
N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-2-methylpropanamide
CID 68576305
(2R,4S,5S,7S)-5-amino-4-hydroxy-7-[[4-methoxy-3-(4-methoxybutoxy)phenyl]methyl]-2,8-dimethylnonanoic acid
CID 22865673
N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2,2-dimethylpentanamide
CID 68576835
3-[[(2S,3S,5S)-3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]amino]-4-[[(2S)-2-methylbutyl]amino]cyclobut-3-ene-1,2-dione
CID 24856383
N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-2-methylpropanamide;hydrochloride
CID 68576302
N-[(2R,3R,5S)-3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2,2-dimethylhexanamide
CID 69227113
N-[(2S,3S,5S)-3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2,2-dimethylpentanamide;hydrochloride
CID 68576838
(2R)-N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-2-methoxy-3,3-dimethylbutanamide;hydrochloride
CID 68693039
[(2S,3S,5R)-1-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptan-3-yl]-tert-butylcarbamic acid
CID 69082562
tert-butyl 2-amino-4-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-5-methylhexanoate
CID 68775665

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N-ethyl-2,2-dimethylpropanamide?
The IUPAC name of N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N-ethyl-2,2-dimethylpropanamide (CID 68577199) is N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N-ethyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N-ethyl-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N-ethyl-2,2-dimethylpropanamide is CCN(CC(O)C(N)CC(Cc1ccc(OC)c(OCCCOC)c1)C(C)C)C(=O)C(C)(C)C.
What is the InChIKey of N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N-ethyl-2,2-dimethylpropanamide?
The InChIKey is KBIRHMDDKXYNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H48N2O5/c1-9-29(26(31)27(4,5)6)18-23(30)22(28)17-21(19(2)3)15-20-11-12-24(33-8)25(16-20)34-14-10-13-32-7/h11-12,16,19,21-23,30H,9-10,13-15,17-18,28H2,1-8H3.
What are the key properties of N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N-ethyl-2,2-dimethylpropanamide?
N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N-ethyl-2,2-dimethylpropanamide has a molecular weight of 480.69 g/mol, XLogP of 3.90, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-2-hydroxy-5-[[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl]-6-methylheptyl]-N-ethyl-2,2-dimethylpropanamide is sourced from PubChem (CID 68577199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).