5-oxo-7-phenyl-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide

C22H26N4O3 — CID 136579285

IUPAC5-oxo-7-phenyl-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)N2CCNC(=O)CC2c2ccccc2)cc1
InChIInChI=1S/C22H26N4O3/c1-15(2)24-21(28)17-8-10-18(11-9-17)25-22(29)26-13-12-23-20(27)14-19(26)16-6-4-3-5-7-16/h3-11,15,19H,12-14H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeyGXKGNNIFWQDPDO-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.92
Rot. Bonds4

About 5-oxo-7-phenyl-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide

5-oxo-7-phenyl-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide (PubChem CID 136579285) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 5-oxo-7-phenyl-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name5-oxo-7-phenyl-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
PubChem CID136579285
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name5-oxo-7-phenyl-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)N2CCNC(=O)CC2c2ccccc2)cc1
InChIInChI=1S/C22H26N4O3/c1-15(2)24-21(28)17-8-10-18(11-9-17)25-22(29)26-13-12-23-20(27)14-19(26)16-6-4-3-5-7-16/h3-11,15,19H,12-14H2,1-2H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeyGXKGNNIFWQDPDO-UHFFFAOYSA-N
XLogP2.92
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(7R)-5-oxo-7-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,4-diazepane-1-carboxamide
CID 95140593
(7R)-5-oxo-7-phenyl-N-pyrimidin-4-yl-1,4-diazepane-1-carboxamide
CID 124622403
N-(6-methoxypyridazin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide
CID 102562775
(7R)-1-[(2S)-2-methylsulfanylpropanoyl]-7-phenyl-1,4-diazepan-5-one
CID 94195535
(7S)-1-[(2R)-2-methylsulfanylpropanoyl]-7-phenyl-1,4-diazepan-5-one
CID 94195538
5-oxo-N-[4-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide
CID 78982647
(7R)-N-(2-nitrophenyl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide
CID 51961669
4-[(5-oxo-7-phenyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 122023249
(7S)-1-[4-[(R)-methylsulfinyl]benzoyl]-7-phenyl-1,4-diazepan-5-one
CID 95141444
N-[3-(1,3-benzothiazol-2-yl)phenyl]-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide
CID 86876802
7-phenyl-1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one
CID 86933702
methyl 3-[(7R)-5-oxo-7-phenyl-1,4-diazepan-1-yl]propanoate
CID 97062578

Frequently Asked Questions

What is the IUPAC name of 5-oxo-7-phenyl-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 5-oxo-7-phenyl-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide (CID 136579285) is 5-oxo-7-phenyl-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 5-oxo-7-phenyl-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 5-oxo-7-phenyl-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide is CC(C)NC(=O)c1ccc(NC(=O)N2CCNC(=O)CC2c2ccccc2)cc1.
What is the InChIKey of 5-oxo-7-phenyl-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide?
The InChIKey is GXKGNNIFWQDPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15(2)24-21(28)17-8-10-18(11-9-17)25-22(29)26-13-12-23-20(27)14-19(26)16-6-4-3-5-7-16/h3-11,15,19H,12-14H2,1-2H3,(H,23,27)(H,24,28)(H,25,29).
What are the key properties of 5-oxo-7-phenyl-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide?
5-oxo-7-phenyl-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-7-phenyl-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 136579285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).