N-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide

C20H23N3O2 — CID 95306843

IUPACN-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide
SMILESO=C1CCN(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C20H23N3O2/c24-19-11-13-23(14-12-21-19)20(25)22-18(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,21,24)(H,22,25)/t18-/m0/s1
InChIKeyVQWKMTBCHCCWKM-SFHVURJKSA-N
MW337.42 g/mol
LogP2.50
Rot. Bonds4

About N-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide

N-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide (PubChem CID 95306843) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide
PubChem CID95306843
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide
SMILESO=C1CCN(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C20H23N3O2/c24-19-11-13-23(14-12-21-19)20(25)22-18(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,21,24)(H,22,25)/t18-/m0/s1
InChIKeyVQWKMTBCHCCWKM-SFHVURJKSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-oxo-N-[(1S)-2-phenyl-1-thiophen-2-ylethyl]-1,4-diazepane-1-carboxamide
CID 124565477
4-[(5-oxo-1,4-diazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027125
N-(1,2-diphenylethyl)-2-oxo-1,8-diazaspiro[4.5]decane-8-carboxamide
CID 119061556
1-[(2S)-2-amino-3-phenylpropanoyl]-1,4-diazepan-5-one
CID 78919913
N-(1,2-diphenylethyl)-1,4-thiazepane-4-carboxamide
CID 87000158
N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide
CID 86880551
N-(1,2-diphenylethyl)-4-(2-methoxyacetyl)piperazine-1-carboxamide
CID 87000159
5-oxo-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 60968905
N-(2-methoxy-3-phenylpropyl)-4-oxo-1,5-diazecane-1-carboxamide
CID 146106412
1-(2-anilinoacetyl)-1,4-diazepan-5-one
CID 63004979
N-[(1S)-1,2-diphenylethyl]-3-oxo-4-propylpiperazine-1-carboxamide
CID 126429089
1-(2-benzylsulfanylacetyl)-1,4-diazepan-5-one
CID 55154739

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide?
The IUPAC name of N-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide (CID 95306843) is N-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide is O=C1CCN(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)CCN1.
What is the InChIKey of N-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide?
The InChIKey is VQWKMTBCHCCWKM-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-19-11-13-23(14-12-21-19)20(25)22-18(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-10,18H,11-15H2,(H,21,24)(H,22,25)/t18-/m0/s1.
What are the key properties of N-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide?
N-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2-diphenylethyl]-5-oxo-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 95306843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).