2-chloro-N-[(3-ethyl-2-methylcyclohexyl)carbamoyl]acetamide

C12H21ClN2O2 — CID 143560606

IUPAC2-chloro-N-[(3-ethyl-2-methylcyclohexyl)carbamoyl]acetamide
SMILESCCC1CCCC(NC(=O)NC(=O)CCl)C1C
InChIInChI=1S/C12H21ClN2O2/c1-3-9-5-4-6-10(8(9)2)14-12(17)15-11(16)7-13/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyAAHMEDORRDJFSC-UHFFFAOYSA-N
MW260.76 g/mol
LogP2.27
Rot. Bonds3

About 2-chloro-N-[(3-ethyl-2-methylcyclohexyl)carbamoyl]acetamide

2-chloro-N-[(3-ethyl-2-methylcyclohexyl)carbamoyl]acetamide (PubChem CID 143560606) has the molecular formula C12H21ClN2O2 and a molecular weight of 260.76 g/mol. Its IUPAC name is 2-chloro-N-[(3-ethyl-2-methylcyclohexyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3-ethyl-2-methylcyclohexyl)carbamoyl]acetamide
PubChem CID143560606
Molecular FormulaC12H21ClN2O2
Molecular Weight260.76 g/mol
Exact Mass260.13
IUPAC Name2-chloro-N-[(3-ethyl-2-methylcyclohexyl)carbamoyl]acetamide
SMILESCCC1CCCC(NC(=O)NC(=O)CCl)C1C
InChIInChI=1S/C12H21ClN2O2/c1-3-9-5-4-6-10(8(9)2)14-12(17)15-11(16)7-13/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17)
InChIKeyAAHMEDORRDJFSC-UHFFFAOYSA-N
XLogP2.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 52.27
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-ethylcyclohexyl)carbamoyl]propanamide
CID 54955402
2-chloro-N-[(2,3-dimethylcyclobutyl)carbamoyl]acetamide
CID 130892509
2-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64915825
3-chloro-N-[(2-methylcyclopentyl)carbamoyl]propanamide
CID 63279383
2-chloro-N-[(2-methylcyclopentyl)methylcarbamoyl]acetamide
CID 107420081
3-[(3-ethyl-2-methylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64914232
2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328684
N-(3-ethyl-2-methylcyclopentyl)-4-(methylamino)butanamide
CID 64922160
2-chloro-N-(cyclooctylcarbamoyl)acetamide
CID 43146080
2-chloro-N-(cyclohexylcarbamoyl)acetamide
CID 2424051
2-chloro-N-[(2,5-dimethyloxolan-3-yl)carbamoyl]acetamide
CID 130892325
N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934942

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-ethyl-2-methylcyclohexyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(3-ethyl-2-methylcyclohexyl)carbamoyl]acetamide (CID 143560606) is 2-chloro-N-[(3-ethyl-2-methylcyclohexyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3-ethyl-2-methylcyclohexyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(3-ethyl-2-methylcyclohexyl)carbamoyl]acetamide is CCC1CCCC(NC(=O)NC(=O)CCl)C1C.
What is the InChIKey of 2-chloro-N-[(3-ethyl-2-methylcyclohexyl)carbamoyl]acetamide?
The InChIKey is AAHMEDORRDJFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2O2/c1-3-9-5-4-6-10(8(9)2)14-12(17)15-11(16)7-13/h8-10H,3-7H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 2-chloro-N-[(3-ethyl-2-methylcyclohexyl)carbamoyl]acetamide?
2-chloro-N-[(3-ethyl-2-methylcyclohexyl)carbamoyl]acetamide has a molecular weight of 260.76 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-ethyl-2-methylcyclohexyl)carbamoyl]acetamide is sourced from PubChem (CID 143560606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).