N-cyclohexyl-4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide

C19H30N4O2 — CID 110813715

IUPACN-cyclohexyl-4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide
SMILESCc1cc(C(=O)N2CCCN(C(=O)NC3CCCCC3)CC2)c(C)[nH]1
InChIInChI=1S/C19H30N4O2/c1-14-13-17(15(2)20-14)18(24)22-9-6-10-23(12-11-22)19(25)21-16-7-4-3-5-8-16/h13,16,20H,3-12H2,1-2H3,(H,21,25)
InChIKeyHFIRUPRPEQUSTN-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.82
Rot. Bonds2

About N-cyclohexyl-4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide

N-cyclohexyl-4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide (PubChem CID 110813715) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-cyclohexyl-4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide
PubChem CID110813715
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC NameN-cyclohexyl-4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide
SMILESCc1cc(C(=O)N2CCCN(C(=O)NC3CCCCC3)CC2)c(C)[nH]1
InChIInChI=1S/C19H30N4O2/c1-14-13-17(15(2)20-14)18(24)22-9-6-10-23(12-11-22)19(25)21-16-7-4-3-5-8-16/h13,16,20H,3-12H2,1-2H3,(H,21,25)
InChIKeyHFIRUPRPEQUSTN-UHFFFAOYSA-N
XLogP2.82
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide
CID 110812610
N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110811448
[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 110807167
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-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide
CID 55558241
N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 38217781
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 138378584
N-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide
CID 110812430
[4-(1-cyclopropyl-2,5-dimethylpyrrole-3-carbonyl)piperazin-1-yl]-(2,5-dimethyl-1H-pyrrol-3-yl)methanone
CID 110815769
N-cyclohexyl-4-(2-methylpyrazole-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 138380460

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide (CID 110813715) is N-cyclohexyl-4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide is Cc1cc(C(=O)N2CCCN(C(=O)NC3CCCCC3)CC2)c(C)[nH]1.
What is the InChIKey of N-cyclohexyl-4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide?
The InChIKey is HFIRUPRPEQUSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14-13-17(15(2)20-14)18(24)22-9-6-10-23(12-11-22)19(25)21-16-7-4-3-5-8-16/h13,16,20H,3-12H2,1-2H3,(H,21,25).
What are the key properties of N-cyclohexyl-4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide?
N-cyclohexyl-4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide has a molecular weight of 346.48 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 110813715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).