3-chloro-N-[(2-ethylcyclohexyl)carbamoyl]propanamide

C12H21ClN2O2 — CID 54955402

IUPAC3-chloro-N-[(2-ethylcyclohexyl)carbamoyl]propanamide
SMILESCCC1CCCCC1NC(=O)NC(=O)CCCl
InChIInChI=1S/C12H21ClN2O2/c1-2-9-5-3-4-6-10(9)14-12(17)15-11(16)7-8-13/h9-10H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyCLSUIGGUNPEKJY-UHFFFAOYSA-N
MW260.76 g/mol
LogP2.41
Rot. Bonds4

About 3-chloro-N-[(2-ethylcyclohexyl)carbamoyl]propanamide

3-chloro-N-[(2-ethylcyclohexyl)carbamoyl]propanamide (PubChem CID 54955402) has the molecular formula C12H21ClN2O2 and a molecular weight of 260.76 g/mol. Its IUPAC name is 3-chloro-N-[(2-ethylcyclohexyl)carbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(2-ethylcyclohexyl)carbamoyl]propanamide
PubChem CID54955402
Molecular FormulaC12H21ClN2O2
Molecular Weight260.76 g/mol
Exact Mass260.13
IUPAC Name3-chloro-N-[(2-ethylcyclohexyl)carbamoyl]propanamide
SMILESCCC1CCCCC1NC(=O)NC(=O)CCCl
InChIInChI=1S/C12H21ClN2O2/c1-2-9-5-3-4-6-10(9)14-12(17)15-11(16)7-8-13/h9-10H,2-8H2,1H3,(H2,14,15,16,17)
InChIKeyCLSUIGGUNPEKJY-UHFFFAOYSA-N
XLogP2.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide
CID 63279383
2-chloro-N-[(3-ethyl-2-methylcyclohexyl)carbamoyl]acetamide
CID 143560606
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753
2-[(2-ethylcyclohexyl)carbamoylamino]propanoic acid
CID 54955651
N-[(1S,2S)-2-ethylcycloheptyl]acetamide
CID 668218
3-chloro-N-(2-ethylcyclohexyl)-2,2-dimethylpropanamide
CID 63680548
1-butyl-3-(2-ethylcyclohexyl)urea
CID 115582575
N-[2-(chloromethyl)cyclopentyl]butanamide
CID 106365880
3-(cyclopropylamino)-N-(2-ethylcyclohexyl)propanamide
CID 60867081
4-[(2-ethylcyclohexyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239762
N-(2-ethylcyclopentyl)acetamide
CID 130891213
2-[(2-ethylcyclohexyl)carbamoylamino]-4-methylpentanoic acid
CID 61468105

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2-ethylcyclohexyl)carbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[(2-ethylcyclohexyl)carbamoyl]propanamide (CID 54955402) is 3-chloro-N-[(2-ethylcyclohexyl)carbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(2-ethylcyclohexyl)carbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[(2-ethylcyclohexyl)carbamoyl]propanamide is CCC1CCCCC1NC(=O)NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[(2-ethylcyclohexyl)carbamoyl]propanamide?
The InChIKey is CLSUIGGUNPEKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O2/c1-2-9-5-3-4-6-10(9)14-12(17)15-11(16)7-8-13/h9-10H,2-8H2,1H3,(H2,14,15,16,17).
What are the key properties of 3-chloro-N-[(2-ethylcyclohexyl)carbamoyl]propanamide?
3-chloro-N-[(2-ethylcyclohexyl)carbamoyl]propanamide has a molecular weight of 260.76 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2-ethylcyclohexyl)carbamoyl]propanamide is sourced from PubChem (CID 54955402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).