4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide

C20H27N3O2 — CID 86802695

IUPAC4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide
SMILESO=C(NC(c1ccccc1)C1CC1)N1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C20H27N3O2/c24-19(17-9-10-17)22-11-4-12-23(14-13-22)20(25)21-18(16-7-8-16)15-5-2-1-3-6-15/h1-3,5-6,16-18H,4,7-14H2,(H,21,25)
InChIKeyMWRIITSURZWDLL-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.79
Rot. Bonds4

About 4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide

4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide (PubChem CID 86802695) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide
PubChem CID86802695
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide
SMILESO=C(NC(c1ccccc1)C1CC1)N1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C20H27N3O2/c24-19(17-9-10-17)22-11-4-12-23(14-13-22)20(25)21-18(16-7-8-16)15-5-2-1-3-6-15/h1-3,5-6,16-18H,4,7-14H2,(H,21,25)
InChIKeyMWRIITSURZWDLL-UHFFFAOYSA-N
XLogP2.79
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(azepane-1-carbonyl)-N-[cyclopropyl(phenyl)methyl]piperidine-1-carboxamide
CID 47016173
N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide
CID 86880652
(3R)-1-N-[(R)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118979
(3S)-1-N-[(S)-cyclohexyl(phenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94118978
N-[1-(4-chlorophenyl)ethyl]-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 86802689
4-(cyclopropanecarbonyl)-N-[(1S)-1-pyridin-4-ylethyl]-1,4-diazepane-1-carboxamide
CID 99596800
ethyl 1-[[cyclopentyl(phenyl)methyl]carbamoyl]piperidine-4-carboxylate
CID 60551232
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
2,2-diphenyl-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 113002906
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 17477999
4-[(4-cyanophenyl)methyl]-N-[cyclopropyl(phenyl)methyl]piperazine-1-carboxamide
CID 46493889
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone
CID 108533858

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide (CID 86802695) is 4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide is O=C(NC(c1ccccc1)C1CC1)N1CCCN(C(=O)C2CC2)CC1.
What is the InChIKey of 4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide?
The InChIKey is MWRIITSURZWDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-19(17-9-10-17)22-11-4-12-23(14-13-22)20(25)21-18(16-7-8-16)15-5-2-1-3-6-15/h1-3,5-6,16-18H,4,7-14H2,(H,21,25).
What are the key properties of 4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide?
4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonyl)-N-[cyclopropyl(phenyl)methyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 86802695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).