N-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide

C14H21ClN2O — CID 55122740

IUPACN-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-3-16-10-11(2)14(18)17-8-7-12-5-4-6-13(15)9-12/h4-6,9,11,16H,3,7-8,10H2,1-2H3,(H,17,18)
InChIKeyWMIKWLNRRIBFPB-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.24
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide

N-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide (PubChem CID 55122740) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
PubChem CID55122740
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)NCCc1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2O/c1-3-16-10-11(2)14(18)17-8-7-12-5-4-6-13(15)9-12/h4-6,9,11,16H,3,7-8,10H2,1-2H3,(H,17,18)
InChIKeyWMIKWLNRRIBFPB-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202005
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
N-[2-(2,4-dichlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 62853416
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide
CID 110416576
(2S)-2-amino-N-[2-(3-chlorophenyl)ethyl]butanamide
CID 79022783
2-amino-N-[2-(3-chlorophenyl)ethyl]-3-methylbutanamide;hydrochloride
CID 119270589
N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62853098
(2R)-2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 103794106
(2R)-N-[2-(3-chlorophenyl)ethyl]-2-methoxybutanamide
CID 94784903
2-amino-N-[2-(3-chlorophenyl)ethyl]pentanamide
CID 61276094
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043911
methyl N-[2-(3-chlorophenyl)ethyl]carbamate
CID 897069

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide (CID 55122740) is N-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide is CCNCC(C)C(=O)NCCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide?
The InChIKey is WMIKWLNRRIBFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-16-10-11(2)14(18)17-8-7-12-5-4-6-13(15)9-12/h4-6,9,11,16H,3,7-8,10H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide?
N-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide has a molecular weight of 268.79 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 55122740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).