N-[[(5S)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide

C31H31N3O2 — CID 70853363

IUPACN-[[(5S)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide
SMILESO=C(NC[C@@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)CN1)c1ccc2ccccc2c1
InChIInChI=1S/C31H31N3O2/c35-30-21-32-28(20-33-31(36)27-16-15-23-9-7-8-14-26(23)19-27)17-18-34(30)22-29(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-16,19,28-29,32H,17-18,20-22H2,(H,33,36)/t28-/m0/s1
InChIKeySWQVXVVDNXWPRR-NDEPHWFRSA-N
MW477.61 g/mol
LogP4.59
Rot. Bonds7

About N-[[(5S)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide

N-[[(5S)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide (PubChem CID 70853363) has the molecular formula C31H31N3O2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[[(5S)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[(5S)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide
PubChem CID70853363
Molecular FormulaC31H31N3O2
Molecular Weight477.61 g/mol
Exact Mass477.24
IUPAC NameN-[[(5S)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide
SMILESO=C(NC[C@@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)CN1)c1ccc2ccccc2c1
InChIInChI=1S/C31H31N3O2/c35-30-21-32-28(20-33-31(36)27-16-15-23-9-7-8-14-26(23)19-27)17-18-34(30)22-29(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-16,19,28-29,32H,17-18,20-22H2,(H,33,36)/t28-/m0/s1
InChIKeySWQVXVVDNXWPRR-NDEPHWFRSA-N
XLogP4.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[(5S)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide with MolForge

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Related Compounds

N-[[(3R,5R)-3-(aminomethyl)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide
CID 127054130
N-[[(3S,5S)-1-(2,2-diphenylethyl)-2-oxo-3-piperidin-4-yl-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide
CID 127054093
N-[[(3S,5S)-1-(2,2-diphenylethyl)-2-oxo-3-(2-piperidin-1-ylethyl)-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide;N-[[(3S,5S)-1-(2,2-diphenylethyl)-2-oxo-3-(2-pyrrolidin-1-ylethyl)-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide
CID 87524447
N-[[3-[2-(diaminomethylideneamino)oxyethyl]-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide
CID 74952310
6-chloro-N-[[(3S,5S)-1-(2,2-diphenylethyl)-2-oxo-3-(2-piperidin-1-ylethyl)-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide
CID 46897153
N-[[(3S,5S)-3-[1-(diaminomethylideneamino)propyl]-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]-6-methoxynaphthalene-2-carboxamide
CID 67370014
N-[[(3R,5R)-1-[2,2-bis(4-chlorophenyl)ethyl]-3-[3-(diaminomethylideneamino)propyl]-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide
CID 127054119
benzene;N-[[(5S)-1-butyl-2-oxo-1,4-diazepan-5-yl]methyl]-6-chloronaphthalene-2-carboxamide;ethane;prop-1-ene
CID 143852951
N-(pyrrolidin-2-ylmethyl)naphthalene-2-carboxamide;hydrochloride
CID 119514272
N-[[(3S,5S)-1-benzyl-3-[3-(diaminomethylideneamino)propyl]-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide;N-[[(3S,5S)-1-[2,2-bis(4-fluorophenyl)ethyl]-3-[3-(diaminomethylideneamino)propyl]-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide
CID 87524122
N-[2-[(3R,5S)-1-(2,2-diphenylethyl)-2-oxo-3-[(2-piperidin-1-ylphenyl)methyl]-1,4-diazepan-5-yl]ethyl]naphthalene-2-carboxamide
CID 127054284
6-chloro-N-[[(3R,5R)-3-(1-ethylpiperidin-4-yl)-2-oxo-1-[(2S)-2-phenylbutyl]-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide
CID 127054287

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[[(5S)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide (CID 70853363) is N-[[(5S)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[[(5S)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[[(5S)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide is O=C(NC[C@@H]1CCN(CC(c2ccccc2)c2ccccc2)C(=O)CN1)c1ccc2ccccc2c1.
What is the InChIKey of N-[[(5S)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide?
The InChIKey is SWQVXVVDNXWPRR-NDEPHWFRSA-N. The full InChI is InChI=1S/C31H31N3O2/c35-30-21-32-28(20-33-31(36)27-16-15-23-9-7-8-14-26(23)19-27)17-18-34(30)22-29(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-16,19,28-29,32H,17-18,20-22H2,(H,33,36)/t28-/m0/s1.
What are the key properties of N-[[(5S)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide?
N-[[(5S)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-1-(2,2-diphenylethyl)-2-oxo-1,4-diazepan-5-yl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 70853363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).