N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide

C14H21ClN2O — CID 62853098

IUPACN-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
SMILESCCNCC(C)C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-4-16-9-11(2)14(18)17(3)10-12-6-5-7-13(15)8-12/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyBVRLIVVNMITQID-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.54
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide

N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide (PubChem CID 62853098) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
PubChem CID62853098
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
SMILESCCNCC(C)C(=O)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-4-16-9-11(2)14(18)17(3)10-12-6-5-7-13(15)8-12/h5-8,11,16H,4,9-10H2,1-3H3
InChIKeyBVRLIVVNMITQID-UHFFFAOYSA-N
XLogP2.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide 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-[(3,4-dichlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 55123171
N-[(3-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685725
N-[1-(3-chlorophenyl)ethyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62852041
N-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 55122740
2-bromo-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 62855920
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N,3-dimethylbutanamide
CID 79012263
N-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119722995
N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide
CID 79202080
N-[(5-bromothiophen-3-yl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62839107
N,2-dimethyl-3-(methylamino)-N-[(3-methylphenyl)methyl]propanamide;hydrochloride
CID 119717227
N-[(3-chlorophenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60687586
4-amino-N-[(3-chlorophenyl)methyl]-N-methylpentanamide;hydrochloride
CID 120559058

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide (CID 62853098) is N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide is CCNCC(C)C(=O)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide?
The InChIKey is BVRLIVVNMITQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-16-9-11(2)14(18)17(3)10-12-6-5-7-13(15)8-12/h5-8,11,16H,4,9-10H2,1-3H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide?
N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide has a molecular weight of 268.79 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide is sourced from PubChem (CID 62853098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).