N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide

C10H18ClNO2 — CID 114296653

IUPACN-(2-chloropropyl)-3-(oxolan-2-yl)propanamide
SMILESCC(Cl)CNC(=O)CCC1CCCO1
InChIInChI=1S/C10H18ClNO2/c1-8(11)7-12-10(13)5-4-9-3-2-6-14-9/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyDLBKHLAVLNXNEU-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.69
Rot. Bonds5

About N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide

N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide (PubChem CID 114296653) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-3-(oxolan-2-yl)propanamide
PubChem CID114296653
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC NameN-(2-chloropropyl)-3-(oxolan-2-yl)propanamide
SMILESCC(Cl)CNC(=O)CCC1CCCO1
InChIInChI=1S/C10H18ClNO2/c1-8(11)7-12-10(13)5-4-9-3-2-6-14-9/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyDLBKHLAVLNXNEU-UHFFFAOYSA-N
XLogP1.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloropropyl)-3-(oxolan-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-[(2R)-oxolan-2-yl]propanamide
CID 93044550
N-[(2S)-2-hydroxypropyl]-3-(oxan-2-yl)propanamide
CID 83030976
N-(2-amino-3-hydroxybutyl)-3-(oxolan-2-yl)propanamide
CID 65160397
2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid
CID 66166255
N-[2-methyl-3-(methylamino)propyl]-3-(oxan-2-yl)propanamide
CID 81479192
N-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide
CID 76996311
N-[(2S)-2-(4-methylphenoxy)propyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 96566487
N-(2-bromo-2-cyclopropylethyl)-3-(oxan-2-yl)propanamide
CID 114315867
4,4-dimethyl-2-[[3-(oxan-2-yl)propanoylamino]methyl]pentanoic acid
CID 107474137
3-(oxolan-2-yl)-N-(3-propan-2-yloxypropyl)propanamide
CID 86930166
N-[2-(2-chloroethyl)pentyl]-3-(oxan-2-yl)propanamide
CID 106117578

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide (CID 114296653) is N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide is CC(Cl)CNC(=O)CCC1CCCO1.
What is the InChIKey of N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is DLBKHLAVLNXNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO2/c1-8(11)7-12-10(13)5-4-9-3-2-6-14-9/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide?
N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 219.71 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 114296653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).