N-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide

C15H20ClNO2 — CID 113091859

IUPACN-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide
SMILESCC(C)(NC(=O)C1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO2/c1-15(2,12-3-5-13(16)6-4-12)17-14(18)11-7-9-19-10-8-11/h3-6,11H,7-10H2,1-2H3,(H,17,18)
InChIKeyYAIPLTKMQOKOJG-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.12
Rot. Bonds3

About N-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide

N-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide (PubChem CID 113091859) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide
PubChem CID113091859
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC NameN-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide
SMILESCC(C)(NC(=O)C1CCOCC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO2/c1-15(2,12-3-5-13(16)6-4-12)17-14(18)11-7-9-19-10-8-11/h3-6,11H,7-10H2,1-2H3,(H,17,18)
InChIKeyYAIPLTKMQOKOJG-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide 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

N-[2-(4-chlorophenyl)propan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 110445231
1-benzylsulfonyl-N-[2-(4-chlorophenyl)propan-2-yl]piperidine-4-carboxamide
CID 86883702
2-(4-chlorophenyl)-2-methyl-N-(oxolan-3-yl)propanamide
CID 11521853
(3S)-N-[3-(4-chlorophenyl)pentan-3-yl]oxane-3-carboxamide
CID 97310475
1-[2-(4-chlorophenyl)propan-2-yl]-3-(oxolan-2-ylmethyl)urea
CID 113216252
N-[2-(4-chlorophenyl)propan-2-yl]azepane-1-carboxamide
CID 113216316
N-[2-(2,4-dichlorophenyl)propan-2-yl]cyclohexanecarboxamide
CID 110441759
N-[3-(4-chlorophenyl)pentan-3-yl]piperidine-4-carboxamide
CID 119315399
N-(4-chlorophenyl)-1-(oxane-4-carbonyl)piperidine-4-carboxamide
CID 113007205
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]oxane-4-carboxamide
CID 113090626
N-[2-(4-tert-butylanilino)-2-oxoethyl]oxane-4-carboxamide
CID 112997593
N-[2-(4-tert-butylphenyl)propan-2-yl]-2-oxopiperidine-4-carboxamide
CID 167913357

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide (CID 113091859) is N-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide is CC(C)(NC(=O)C1CCOCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide?
The InChIKey is YAIPLTKMQOKOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-15(2,12-3-5-13(16)6-4-12)17-14(18)11-7-9-19-10-8-11/h3-6,11H,7-10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide?
N-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide has a molecular weight of 281.78 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)propan-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 113091859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).