N-cyclopentyl-4-[2-(2,4,6-trimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide

C22H33N3O2 — CID 110813845

IUPACN-cyclopentyl-4-[2-(2,4,6-trimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
SMILESCc1cc(C)c(CC(=O)N2CCCN(C(=O)NC3CCCC3)CC2)c(C)c1
InChIInChI=1S/C22H33N3O2/c1-16-13-17(2)20(18(3)14-16)15-21(26)24-9-6-10-25(12-11-24)22(27)23-19-7-4-5-8-19/h13-14,19H,4-12,15H2,1-3H3,(H,23,27)
InChIKeyJQODGSCIUNZCEX-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.34
Rot. Bonds3

About N-cyclopentyl-4-[2-(2,4,6-trimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide

N-cyclopentyl-4-[2-(2,4,6-trimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide (PubChem CID 110813845) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-cyclopentyl-4-[2-(2,4,6-trimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[2-(2,4,6-trimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
PubChem CID110813845
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-cyclopentyl-4-[2-(2,4,6-trimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
SMILESCc1cc(C)c(CC(=O)N2CCCN(C(=O)NC3CCCC3)CC2)c(C)c1
InChIInChI=1S/C22H33N3O2/c1-16-13-17(2)20(18(3)14-16)15-21(26)24-9-6-10-25(12-11-24)22(27)23-19-7-4-5-8-19/h13-14,19H,4-12,15H2,1-3H3,(H,23,27)
InChIKeyJQODGSCIUNZCEX-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-4-[2-(2,4-dimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813824
N-cyclohexyl-4-[2-(2,4-dimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813819
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]-2-(2,4,6-trimethylphenyl)ethanone
CID 110809409
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(2,4,6-trimethylphenyl)ethanone
CID 110803872
N-cyclopentyl-4-[2-(2-methoxy-5-methylphenyl)acetyl]piperazine-1-carboxamide
CID 110812906
N-cyclopentyl-4-[2-(4-fluorophenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811571
4-[2-(4-chlorophenyl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110811575
N-cyclopentyl-4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813829
N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide
CID 110812326
N-cyclopentyl-4-[2-(1H-pyrrol-2-yl)acetyl]-1,4-diazepane-1-carboxamide
CID 110813914
N-cyclopentyl-4-[3-(2-methylphenyl)propanoyl]piperazine-1-carboxamide
CID 110810952
4-[2-(5-chlorothiophen-2-yl)acetyl]-N-cyclopentyl-1,4-diazepane-1-carboxamide
CID 110813840

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[2-(2,4,6-trimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-[2-(2,4,6-trimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide (CID 110813845) is N-cyclopentyl-4-[2-(2,4,6-trimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-[2-(2,4,6-trimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-[2-(2,4,6-trimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide is Cc1cc(C)c(CC(=O)N2CCCN(C(=O)NC3CCCC3)CC2)c(C)c1.
What is the InChIKey of N-cyclopentyl-4-[2-(2,4,6-trimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide?
The InChIKey is JQODGSCIUNZCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c1-16-13-17(2)20(18(3)14-16)15-21(26)24-9-6-10-25(12-11-24)22(27)23-19-7-4-5-8-19/h13-14,19H,4-12,15H2,1-3H3,(H,23,27).
What are the key properties of N-cyclopentyl-4-[2-(2,4,6-trimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide?
N-cyclopentyl-4-[2-(2,4,6-trimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.34, 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-(2,4,6-trimethylphenyl)acetyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 110813845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).