2-chloro-N-[(4-ethylcyclohexyl)methyl]propanamide

C12H22ClNO — CID 60971476

IUPAC2-chloro-N-[(4-ethylcyclohexyl)methyl]propanamide
SMILESCCC1CCC(CNC(=O)C(C)Cl)CC1
InChIInChI=1S/C12H22ClNO/c1-3-10-4-6-11(7-5-10)8-14-12(15)9(2)13/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyWJCQZZJJAQUMEQ-UHFFFAOYSA-N
MW231.77 g/mol
LogP2.95
Rot. Bonds4

About 2-chloro-N-[(4-ethylcyclohexyl)methyl]propanamide

2-chloro-N-[(4-ethylcyclohexyl)methyl]propanamide (PubChem CID 60971476) has the molecular formula C12H22ClNO and a molecular weight of 231.77 g/mol. Its IUPAC name is 2-chloro-N-[(4-ethylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[(4-ethylcyclohexyl)methyl]propanamide
PubChem CID60971476
Molecular FormulaC12H22ClNO
Molecular Weight231.77 g/mol
Exact Mass231.14
IUPAC Name2-chloro-N-[(4-ethylcyclohexyl)methyl]propanamide
SMILESCCC1CCC(CNC(=O)C(C)Cl)CC1
InChIInChI=1S/C12H22ClNO/c1-3-10-4-6-11(7-5-10)8-14-12(15)9(2)13/h9-11H,3-8H2,1-2H3,(H,14,15)
InChIKeyWJCQZZJJAQUMEQ-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.77
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 61149083
4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
CID 80543097
N-[(4-chlorocyclohexyl)methyl]-2-methylbutanamide
CID 106133616
N-(cyclopropylmethyl)-2-hydroxypropanamide
CID 131088894
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide
CID 93389393
2-[(4-ethylcyclohexyl)methylcarbamoyl]-3,3-dimethylbutanoic acid
CID 116537018
2-amino-N-(cyclopropylmethyl)propanamide
CID 24690233
N-[(4-ethylcyclohexyl)methyl]-2-(propan-2-ylamino)acetamide
CID 54880897
N-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide
CID 166321617
N-[(4-hydroxycyclohexyl)methyl]-2-methylbutanamide
CID 106123043
3-[(4-ethylcyclohexyl)methyl]-1,1-dimethylurea
CID 115590479
4-amino-N-[(4-ethylcyclohexyl)methyl]pentanamide;hydrochloride
CID 120561038

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-ethylcyclohexyl)methyl]propanamide?
The IUPAC name of 2-chloro-N-[(4-ethylcyclohexyl)methyl]propanamide (CID 60971476) is 2-chloro-N-[(4-ethylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 2-chloro-N-[(4-ethylcyclohexyl)methyl]propanamide?
The canonical SMILES for 2-chloro-N-[(4-ethylcyclohexyl)methyl]propanamide is CCC1CCC(CNC(=O)C(C)Cl)CC1.
What is the InChIKey of 2-chloro-N-[(4-ethylcyclohexyl)methyl]propanamide?
The InChIKey is WJCQZZJJAQUMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO/c1-3-10-4-6-11(7-5-10)8-14-12(15)9(2)13/h9-11H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-N-[(4-ethylcyclohexyl)methyl]propanamide?
2-chloro-N-[(4-ethylcyclohexyl)methyl]propanamide has a molecular weight of 231.77 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-ethylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 60971476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).