N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide

C19H27N3O2 — CID 110811448

IUPACN-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
SMILESCc1ccccc1C(=O)N1CCCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C19H27N3O2/c1-15-7-2-5-10-17(15)18(23)21-11-6-12-22(14-13-21)19(24)20-16-8-3-4-9-16/h2,5,7,10,16H,3-4,6,8-9,11-14H2,1H3,(H,20,24)
InChIKeyAIRCYXFZTYVQCB-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.80
Rot. Bonds2

About N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide

N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide (PubChem CID 110811448) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
PubChem CID110811448
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
SMILESCc1ccccc1C(=O)N1CCCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C19H27N3O2/c1-15-7-2-5-10-17(15)18(23)21-11-6-12-22(14-13-21)19(24)20-16-8-3-4-9-16/h2,5,7,10,16H,3-4,6,8-9,11-14H2,1H3,(H,20,24)
InChIKeyAIRCYXFZTYVQCB-UHFFFAOYSA-N
XLogP2.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide
CID 110812326
N-cyclopentyl-4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110813643
N-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide
CID 110812610
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 51096408
N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 38217781
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820253
N-cyclohexyl-4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 110813715
N-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide
CID 55558241
1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea
CID 108566970
N-benzyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 23881003

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide (CID 110811448) is N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide is Cc1ccccc1C(=O)N1CCCN(C(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide?
The InChIKey is AIRCYXFZTYVQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15-7-2-5-10-17(15)18(23)21-11-6-12-22(14-13-21)19(24)20-16-8-3-4-9-16/h2,5,7,10,16H,3-4,6,8-9,11-14H2,1H3,(H,20,24).
What are the key properties of N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide?
N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 110811448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).