4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide

C20H30N4O3 — CID 118771356

IUPAC4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)N2CCCN(C3CCCC3)CC2)c1
InChIInChI=1S/C20H30N4O3/c1-21-19(25)15-8-9-18(27-2)17(14-15)22-20(26)24-11-5-10-23(12-13-24)16-6-3-4-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyQNFAUDUKIBYWBH-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.54
Rot. Bonds4

About 4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide

4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide (PubChem CID 118771356) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
PubChem CID118771356
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
SMILESCNC(=O)c1ccc(OC)c(NC(=O)N2CCCN(C3CCCC3)CC2)c1
InChIInChI=1S/C20H30N4O3/c1-21-19(25)15-8-9-18(27-2)17(14-15)22-20(26)24-11-5-10-23(12-13-24)16-6-3-4-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyQNFAUDUKIBYWBH-UHFFFAOYSA-N
XLogP2.54
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 86995011
N-(5-acetamido-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987888
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide
CID 113110561
4-benzyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 86995002
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
N-[2-methoxy-5-(methylcarbamoyl)phenyl]-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 56800037
N-[2-methoxy-5-(methylcarbamoyl)phenyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 118760794
methyl 4-[(4-cyclohexylpiperazine-1-carbonyl)amino]benzoate
CID 113104639
4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 86986929
(3R)-N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 25302330
4-[[2-methoxy-5-(methylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672574

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide (CID 118771356) is 4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide is CNC(=O)c1ccc(OC)c(NC(=O)N2CCCN(C3CCCC3)CC2)c1.
What is the InChIKey of 4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide?
The InChIKey is QNFAUDUKIBYWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-21-19(25)15-8-9-18(27-2)17(14-15)22-20(26)24-11-5-10-23(12-13-24)16-6-3-4-7-16/h8-9,14,16H,3-7,10-13H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of 4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide?
4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 118771356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).