N-[(2R)-3-amino-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-oxopropyl]-2,3-bis(phenylmethoxy)benzamide

C45H41N3O7 — CID 57204258

IUPACN-[(2R)-3-amino-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-oxopropyl]-2,3-bis(phenylmethoxy)benzamide
SMILESNC(=O)[C@@H](CNC(=O)c1cccc(OCc2ccccc2)c1OCc1ccccc1)NC(=O)c1cccc(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C45H41N3O7/c46-43(49)38(48-45(51)37-24-14-26-40(53-29-33-17-7-2-8-18-33)42(37)55-31-35-21-11-4-12-22-35)27-47-44(50)36-23-13-25-39(52-28-32-15-5-1-6-16-32)41(36)54-30-34-19-9-3-10-20-34/h1-26,38H,27-31H2,(H2,46,49)(H,47,50)(H,48,51)/t38-/m1/s1
InChIKeyOIRMHNOSGPATCW-KXQOOQHDSA-N
MW735.84 g/mol
LogP7.02
Rot. Bonds18

About N-[(2R)-3-amino-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-oxopropyl]-2,3-bis(phenylmethoxy)benzamide

N-[(2R)-3-amino-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-oxopropyl]-2,3-bis(phenylmethoxy)benzamide (PubChem CID 57204258) has the molecular formula C45H41N3O7 and a molecular weight of 735.84 g/mol. Its IUPAC name is N-[(2R)-3-amino-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-oxopropyl]-2,3-bis(phenylmethoxy)benzamide.

Molecular Properties

Compound NameN-[(2R)-3-amino-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-oxopropyl]-2,3-bis(phenylmethoxy)benzamide
PubChem CID57204258
Molecular FormulaC45H41N3O7
Molecular Weight735.84 g/mol
Exact Mass735.29
IUPAC NameN-[(2R)-3-amino-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-oxopropyl]-2,3-bis(phenylmethoxy)benzamide
SMILESNC(=O)[C@@H](CNC(=O)c1cccc(OCc2ccccc2)c1OCc1ccccc1)NC(=O)c1cccc(OCc2ccccc2)c1OCc1ccccc1
InChIInChI=1S/C45H41N3O7/c46-43(49)38(48-45(51)37-24-14-26-40(53-29-33-17-7-2-8-18-33)42(37)55-31-35-21-11-4-12-22-35)27-47-44(50)36-23-13-25-39(52-28-32-15-5-1-6-16-32)41(36)54-30-34-19-9-3-10-20-34/h1-26,38H,27-31H2,(H2,46,49)(H,47,50)(H,48,51)/t38-/m1/s1
InChIKeyOIRMHNOSGPATCW-KXQOOQHDSA-N
XLogP7.02
TPSA138.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.84
LogP ≤ 57.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(2R)-3-amino-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-oxopropyl]-2,3-bis(phenylmethoxy)benzamide with MolForge

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Related Compounds

benzyl (2S)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-hydroxypropanoate
CID 51002849
N-[(2R)-1-[2-[2-[2-[[(2R)-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-phenylpropanoyl]amino]ethoxy]ethoxy]ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,3-bis(phenylmethoxy)benzamide
CID 46211303
N-[(2R)-1,4-dihydroxybutan-2-yl]-2,3-bis(phenylmethoxy)benzamide
CID 54474953
N-[(1S)-1,5-dicyanopentyl]-2,3-bis(phenylmethoxy)benzamide
CID 54362909
methyl 2-[2-[2,3-bis(phenylmethoxy)benzoyl]hydrazinyl]acetate
CID 138654400
2-phenylmethoxy-N-(2-phenylpropyl)benzamide
CID 133164529
methyl 3-[2,3-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 19929834
N-ethyl-N-hydroxy-2,3-bis(phenylmethoxy)benzamide
CID 14717390
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-(5-cyano-2-pyridinyl)-2,3-bis(phenylmethoxy)benzamide
CID 69301058
N-benzyl-2-[(4-carbamoylphenyl)methoxy]benzamide
CID 17465507
2,5-bis(phenylmethoxy)benzene-1,4-dicarbohydrazide
CID 155221310

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-amino-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-oxopropyl]-2,3-bis(phenylmethoxy)benzamide?
The IUPAC name of N-[(2R)-3-amino-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-oxopropyl]-2,3-bis(phenylmethoxy)benzamide (CID 57204258) is N-[(2R)-3-amino-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-oxopropyl]-2,3-bis(phenylmethoxy)benzamide.
What is the SMILES notation for N-[(2R)-3-amino-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-oxopropyl]-2,3-bis(phenylmethoxy)benzamide?
The canonical SMILES for N-[(2R)-3-amino-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-oxopropyl]-2,3-bis(phenylmethoxy)benzamide is NC(=O)[C@@H](CNC(=O)c1cccc(OCc2ccccc2)c1OCc1ccccc1)NC(=O)c1cccc(OCc2ccccc2)c1OCc1ccccc1.
What is the InChIKey of N-[(2R)-3-amino-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-oxopropyl]-2,3-bis(phenylmethoxy)benzamide?
The InChIKey is OIRMHNOSGPATCW-KXQOOQHDSA-N. The full InChI is InChI=1S/C45H41N3O7/c46-43(49)38(48-45(51)37-24-14-26-40(53-29-33-17-7-2-8-18-33)42(37)55-31-35-21-11-4-12-22-35)27-47-44(50)36-23-13-25-39(52-28-32-15-5-1-6-16-32)41(36)54-30-34-19-9-3-10-20-34/h1-26,38H,27-31H2,(H2,46,49)(H,47,50)(H,48,51)/t38-/m1/s1.
What are the key properties of N-[(2R)-3-amino-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-oxopropyl]-2,3-bis(phenylmethoxy)benzamide?
N-[(2R)-3-amino-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-oxopropyl]-2,3-bis(phenylmethoxy)benzamide has a molecular weight of 735.84 g/mol, XLogP of 7.02, 18 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-amino-2-[[2,3-bis(phenylmethoxy)benzoyl]amino]-3-oxopropyl]-2,3-bis(phenylmethoxy)benzamide is sourced from PubChem (CID 57204258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).