N-cyclopentyl-4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxamide

C22H33N3O2 — CID 110813643

IUPACN-cyclopentyl-4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxamide
SMILESCc1ccc(C(C)C)cc1C(=O)N1CCCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C22H33N3O2/c1-16(2)18-10-9-17(3)20(15-18)21(26)24-11-6-12-25(14-13-24)22(27)23-19-7-4-5-8-19/h9-10,15-16,19H,4-8,11-14H2,1-3H3,(H,23,27)
InChIKeyUAOAQOPZXFXXDF-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.92
Rot. Bonds3

About N-cyclopentyl-4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxamide

N-cyclopentyl-4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxamide (PubChem CID 110813643) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-cyclopentyl-4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxamide
PubChem CID110813643
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-cyclopentyl-4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxamide
SMILESCc1ccc(C(C)C)cc1C(=O)N1CCCN(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C22H33N3O2/c1-16(2)18-10-9-17(3)20(15-18)21(26)24-11-6-12-25(14-13-24)22(27)23-19-7-4-5-8-19/h9-10,15-16,19H,4-8,11-14H2,1-3H3,(H,23,27)
InChIKeyUAOAQOPZXFXXDF-UHFFFAOYSA-N
XLogP3.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methyl-5-propan-2-ylbenzoyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812678
N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110811448
N-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide
CID 110812610
N-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide
CID 55558241
N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide
CID 110812326
5-[4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110816230
N-cyclohexyl-4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 110813715
N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 38217781
(4-ethylsulfonylpiperazin-1-yl)-(2-methyl-5-propan-2-ylphenyl)methanone
CID 110804708
N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
N-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide
CID 110812430
N-[1-(5-amino-2-methylbenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 120623742

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxamide (CID 110813643) is N-cyclopentyl-4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxamide is Cc1ccc(C(C)C)cc1C(=O)N1CCCN(C(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxamide?
The InChIKey is UAOAQOPZXFXXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-16(2)18-10-9-17(3)20(15-18)21(26)24-11-6-12-25(14-13-24)22(27)23-19-7-4-5-8-19/h9-10,15-16,19H,4-8,11-14H2,1-3H3,(H,23,27).
What are the key properties of N-cyclopentyl-4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxamide?
N-cyclopentyl-4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 110813643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).