butyl N-[1-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]ethyl]carbamate

C19H27ClN2O3 — CID 90422960

IUPACbutyl N-[1-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]ethyl]carbamate
SMILESCCCCOC(=O)NC(C)c1ccc(C(=O)NC2CCCC2)c(Cl)c1
InChIInChI=1S/C19H27ClN2O3/c1-3-4-11-25-19(24)21-13(2)14-9-10-16(17(20)12-14)18(23)22-15-7-5-6-8-15/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyRFRAGJXOGKCZEB-UHFFFAOYSA-N
MW366.89 g/mol
LogP4.60
Rot. Bonds7

About butyl N-[1-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]ethyl]carbamate

butyl N-[1-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]ethyl]carbamate (PubChem CID 90422960) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is butyl N-[1-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Namebutyl N-[1-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]ethyl]carbamate
PubChem CID90422960
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC Namebutyl N-[1-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]ethyl]carbamate
SMILESCCCCOC(=O)NC(C)c1ccc(C(=O)NC2CCCC2)c(Cl)c1
InChIInChI=1S/C19H27ClN2O3/c1-3-4-11-25-19(24)21-13(2)14-9-10-16(17(20)12-14)18(23)22-15-7-5-6-8-15/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyRFRAGJXOGKCZEB-UHFFFAOYSA-N
XLogP4.60
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl N-[1-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 745369
2-chloro-N-cyclooctyl-4-methylbenzamide
CID 885646
2-chloro-4-methyl-N-(3-phenylpropyl)benzamide
CID 2234904
4-[2-(2-Chloro-benzoylamino)-ethylamino]-piperidine-1-carboxylic acid ethyl ester
CID 644390
ethyl 4-[(3R)-3-[(2-chlorobenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
CID 46873655
2-chloro-4-methyl-N-prop-2-enylbenzamide
CID 1814962
ethyl (1R,5S)-3-[2-[(2-chlorobenzoyl)amino]ethylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70694062
Ethyl 2-[[4-[(2-chlorophenyl)methylcarbamoyl]phenyl]methyl]butanoate
CID 127039679
2-chloro-N-cyclopentylbenzamide
CID 669043
3-chloro-4-ethyl-N-(2-methylcyclohexyl)benzamide
CID 57527912
2-chloro-N-[2-(dimethylamino)ethyl]-4-methylbenzamide
CID 885851
2-chloro-N-[3-(dimethylamino)propyl]-4-methylbenzamide
CID 2226668

Frequently Asked Questions

What is the IUPAC name of butyl N-[1-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]ethyl]carbamate?
The IUPAC name of butyl N-[1-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]ethyl]carbamate (CID 90422960) is butyl N-[1-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]ethyl]carbamate.
What is the SMILES notation for butyl N-[1-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]ethyl]carbamate?
The canonical SMILES for butyl N-[1-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]ethyl]carbamate is CCCCOC(=O)NC(C)c1ccc(C(=O)NC2CCCC2)c(Cl)c1.
What is the InChIKey of butyl N-[1-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]ethyl]carbamate?
The InChIKey is RFRAGJXOGKCZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O3/c1-3-4-11-25-19(24)21-13(2)14-9-10-16(17(20)12-14)18(23)22-15-7-5-6-8-15/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of butyl N-[1-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]ethyl]carbamate?
butyl N-[1-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]ethyl]carbamate has a molecular weight of 366.89 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[1-[3-chloro-4-(cyclopentylcarbamoyl)phenyl]ethyl]carbamate is sourced from PubChem (CID 90422960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).