N-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide

C21H31N3O2 — CID 110813431

IUPACN-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide
SMILESCCCc1ccc(C(=O)N2CCCN(C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C21H31N3O2/c1-2-6-17-9-11-18(12-10-17)20(25)23-13-5-14-24(16-15-23)21(26)22-19-7-3-4-8-19/h9-12,19H,2-8,13-16H2,1H3,(H,22,26)
InChIKeyZXBVCKZZSFIODN-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.44
Rot. Bonds4

About N-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide

N-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide (PubChem CID 110813431) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide
PubChem CID110813431
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC NameN-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide
SMILESCCCc1ccc(C(=O)N2CCCN(C(=O)NC3CCCC3)CC2)cc1
InChIInChI=1S/C21H31N3O2/c1-2-6-17-9-11-18(12-10-17)20(25)23-13-5-14-24(16-15-23)21(26)22-19-7-3-4-8-19/h9-12,19H,2-8,13-16H2,1H3,(H,22,26)
InChIKeyZXBVCKZZSFIODN-UHFFFAOYSA-N
XLogP3.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-butoxybenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 55558062
4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 110812233
N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 38217781
4-(4-butylbenzoyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813413
2-[4-[4-(cyclohexylcarbamoyl)piperazine-1-carbonyl]phenoxy]acetic acid
CID 136552724
(4-cyclopropylidenepiperidin-1-yl)-(4-propylphenyl)methanone
CID 121186842
(4-propylphenyl)-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816607
N-cyclopentyl-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-1,4-diazepane-1-carboxamide
CID 110813382
1-cyclopentyl-3-ethyl-2-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine
CID 110991395
(4-butylphenyl)-pyrrolidin-1-ylmethanone
CID 60674990
[4-(methylaminomethyl)piperidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119546057
(3S)-1-(4-propylbenzoyl)piperidine-3-carboxylic acid
CID 98019288

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide (CID 110813431) is N-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide is CCCc1ccc(C(=O)N2CCCN(C(=O)NC3CCCC3)CC2)cc1.
What is the InChIKey of N-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide?
The InChIKey is ZXBVCKZZSFIODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-2-6-17-9-11-18(12-10-17)20(25)23-13-5-14-24(16-15-23)21(26)22-19-7-3-4-8-19/h9-12,19H,2-8,13-16H2,1H3,(H,22,26).
What are the key properties of N-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide?
N-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(4-propylbenzoyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 110813431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).