N-[2-[benzyl(ethyl)amino]cyclohexyl]-2-chloroacetamide

C17H25ClN2O — CID 66567069

IUPACN-[2-[benzyl(ethyl)amino]cyclohexyl]-2-chloroacetamide
SMILESCCN(Cc1ccccc1)C1CCCCC1NC(=O)CCl
InChIInChI=1S/C17H25ClN2O/c1-2-20(13-14-8-4-3-5-9-14)16-11-7-6-10-15(16)19-17(21)12-18/h3-5,8-9,15-16H,2,6-7,10-13H2,1H3,(H,19,21)
InChIKeyMPPPTDORYNZRSE-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.17
Rot. Bonds6

About N-[2-[benzyl(ethyl)amino]cyclohexyl]-2-chloroacetamide

N-[2-[benzyl(ethyl)amino]cyclohexyl]-2-chloroacetamide (PubChem CID 66567069) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-[2-[benzyl(ethyl)amino]cyclohexyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[2-[benzyl(ethyl)amino]cyclohexyl]-2-chloroacetamide
PubChem CID66567069
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-[2-[benzyl(ethyl)amino]cyclohexyl]-2-chloroacetamide
SMILESCCN(Cc1ccccc1)C1CCCCC1NC(=O)CCl
InChIInChI=1S/C17H25ClN2O/c1-2-20(13-14-8-4-3-5-9-14)16-11-7-6-10-15(16)19-17(21)12-18/h3-5,8-9,15-16H,2,6-7,10-13H2,1H3,(H,19,21)
InChIKeyMPPPTDORYNZRSE-UHFFFAOYSA-N
XLogP3.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]-2-chloroacetamide
CID 124526886
N-[(1S,2S)-2-[benzyl(methyl)amino]cyclohexyl]-2-chloroacetamide
CID 96554193
(2S)-2-amino-N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]propanamide
CID 124831484
trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol
CID 102731816
2-amino-N-[(1S,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide
CID 96554230
2-amino-N-[(1R,2R)-2-[benzyl(methyl)amino]cyclohexyl]acetamide
CID 124526892
N-[(1S,2R)-2-[benzyl(ethyl)amino]cyclohexyl]benzenesulfonamide
CID 92701825
N-[(1R,2R)-2-[benzyl(ethyl)amino]cyclohexyl]-4-chlorobenzenesulfonamide
CID 124772278
benzyl N-[(1R,2S)-2-[(2-chloroacetyl)amino]cyclohexyl]carbamate
CID 96552542
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
trans-(1R,2R)-1-N-benzyl-2-N,2-N-diethylcyclohexane-1,2-diamine
CID 101206907
2-(dibenzylamino)cyclohexan-1-ol;methanesulfonic acid
CID 86743264

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(ethyl)amino]cyclohexyl]-2-chloroacetamide?
The IUPAC name of N-[2-[benzyl(ethyl)amino]cyclohexyl]-2-chloroacetamide (CID 66567069) is N-[2-[benzyl(ethyl)amino]cyclohexyl]-2-chloroacetamide.
What is the SMILES notation for N-[2-[benzyl(ethyl)amino]cyclohexyl]-2-chloroacetamide?
The canonical SMILES for N-[2-[benzyl(ethyl)amino]cyclohexyl]-2-chloroacetamide is CCN(Cc1ccccc1)C1CCCCC1NC(=O)CCl.
What is the InChIKey of N-[2-[benzyl(ethyl)amino]cyclohexyl]-2-chloroacetamide?
The InChIKey is MPPPTDORYNZRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-2-20(13-14-8-4-3-5-9-14)16-11-7-6-10-15(16)19-17(21)12-18/h3-5,8-9,15-16H,2,6-7,10-13H2,1H3,(H,19,21).
What are the key properties of N-[2-[benzyl(ethyl)amino]cyclohexyl]-2-chloroacetamide?
N-[2-[benzyl(ethyl)amino]cyclohexyl]-2-chloroacetamide has a molecular weight of 308.85 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(ethyl)amino]cyclohexyl]-2-chloroacetamide is sourced from PubChem (CID 66567069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).