N-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride

C14H22Cl2N2O — CID 119722995

IUPACN-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCCN(Cc1cccc(Cl)c1)C(=O)C(C)CNC.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-4-17(14(18)11(2)9-16-3)10-12-6-5-7-13(15)8-12;/h5-8,11,16H,4,9-10H2,1-3H3;1H
InChIKeyBQSBYJVHIOISQA-UHFFFAOYSA-N
MW305.25 g/mol
LogP2.97
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride

N-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride (PubChem CID 119722995) has the molecular formula C14H22Cl2N2O and a molecular weight of 305.25 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride
PubChem CID119722995
Molecular FormulaC14H22Cl2N2O
Molecular Weight305.25 g/mol
Exact Mass304.11
IUPAC NameN-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride
SMILESCCN(Cc1cccc(Cl)c1)C(=O)C(C)CNC.Cl
InChIInChI=1S/C14H21ClN2O.ClH/c1-4-17(14(18)11(2)9-16-3)10-12-6-5-7-13(15)8-12;/h5-8,11,16H,4,9-10H2,1-3H3;1H
InChIKeyBQSBYJVHIOISQA-UHFFFAOYSA-N
XLogP2.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[(3-fluorophenyl)methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119690197
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119743606
N-[(3-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514771
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119289151
(2S)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylpentanamide
CID 61163352
3-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanamide;hydrochloride
CID 119723003
2-amino-N-[(3-chlorophenyl)methyl]-N-ethylbutanediamide
CID 54871050
N-[(3-chlorophenyl)methyl]-3-(ethylamino)-N,2-dimethylpropanamide
CID 62853098
3-amino-4-[(3-chlorophenyl)methyl-ethylamino]-4-oxobutanoic acid
CID 64896505
N-ethyl-2-methyl-3-(methylamino)-N-[(2-methylphenyl)methyl]propanamide;hydrochloride
CID 119722155
N-ethyl-2-methyl-3-(methylamino)-N-(thiophen-2-ylmethyl)propanamide
CID 79201660
N-[2-(3-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79202005

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride (CID 119722995) is N-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride is CCN(Cc1cccc(Cl)c1)C(=O)C(C)CNC.Cl.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride?
The InChIKey is BQSBYJVHIOISQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O.ClH/c1-4-17(14(18)11(2)9-16-3)10-12-6-5-7-13(15)8-12;/h5-8,11,16H,4,9-10H2,1-3H3;1H.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride?
N-[(3-chlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride has a molecular weight of 305.25 g/mol, XLogP of 2.97, 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]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride is sourced from PubChem (CID 119722995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).