N-[2-(2-chloroethyl)pentyl]-3-(oxan-2-yl)propanamide

C15H28ClNO2 — CID 106117578

IUPACN-[2-(2-chloroethyl)pentyl]-3-(oxan-2-yl)propanamide
SMILESCCCC(CCCl)CNC(=O)CCC1CCCCO1
InChIInChI=1S/C15H28ClNO2/c1-2-5-13(9-10-16)12-17-15(18)8-7-14-6-3-4-11-19-14/h13-14H,2-12H2,1H3,(H,17,18)
InChIKeyYASCDOJAKJRXAA-UHFFFAOYSA-N
MW289.85 g/mol
LogP3.50
Rot. Bonds9

About N-[2-(2-chloroethyl)pentyl]-3-(oxan-2-yl)propanamide

N-[2-(2-chloroethyl)pentyl]-3-(oxan-2-yl)propanamide (PubChem CID 106117578) has the molecular formula C15H28ClNO2 and a molecular weight of 289.85 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]-3-(oxan-2-yl)propanamide
PubChem CID106117578
Molecular FormulaC15H28ClNO2
Molecular Weight289.85 g/mol
Exact Mass289.18
IUPAC NameN-[2-(2-chloroethyl)pentyl]-3-(oxan-2-yl)propanamide
SMILESCCCC(CCCl)CNC(=O)CCC1CCCCO1
InChIInChI=1S/C15H28ClNO2/c1-2-5-13(9-10-16)12-17-15(18)8-7-14-6-3-4-11-19-14/h13-14H,2-12H2,1H3,(H,17,18)
InChIKeyYASCDOJAKJRXAA-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(2-chloroethyl)pentyl]-3-(oxan-2-yl)propanamide 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-[(2S)-2-hydroxypropyl]-3-(oxan-2-yl)propanamide
CID 83030976
N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide
CID 114296653
N-(2-bromo-2-cyclopropylethyl)-3-(oxan-2-yl)propanamide
CID 114315867
N-[2-methyl-3-(methylamino)propyl]-3-(oxan-2-yl)propanamide
CID 81479192
N-(1-chloropropan-2-yl)-3-(oxan-2-yl)propanamide
CID 114299597
N-[(2S)-2-hydroxypropyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 93044550
N-(5-chloropentyl)-3-(oxan-2-yl)propanamide
CID 107321014
4,4-dimethyl-2-[[3-(oxan-2-yl)propanoylamino]methyl]pentanoic acid
CID 107474137
N-[2-(2-aminoethyl)pentyl]-2-(oxolan-2-yl)acetamide
CID 106116037
N-[2-(2-bromoethyl)pentyl]-2-(oxolan-2-yl)acetamide
CID 106118076
3-cyclopentyl-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 113248441
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide
CID 76996311

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]-3-(oxan-2-yl)propanamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]-3-(oxan-2-yl)propanamide (CID 106117578) is N-[2-(2-chloroethyl)pentyl]-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]-3-(oxan-2-yl)propanamide is CCCC(CCCl)CNC(=O)CCC1CCCCO1.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]-3-(oxan-2-yl)propanamide?
The InChIKey is YASCDOJAKJRXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO2/c1-2-5-13(9-10-16)12-17-15(18)8-7-14-6-3-4-11-19-14/h13-14H,2-12H2,1H3,(H,17,18).
What are the key properties of N-[2-(2-chloroethyl)pentyl]-3-(oxan-2-yl)propanamide?
N-[2-(2-chloroethyl)pentyl]-3-(oxan-2-yl)propanamide has a molecular weight of 289.85 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 106117578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).