N-butyl-N-[(2-chlorophenyl)methyl]-2-methyl-3-(methylamino)propanamide

C16H25ClN2O — CID 119769462

IUPACN-butyl-N-[(2-chlorophenyl)methyl]-2-methyl-3-(methylamino)propanamide
SMILESCCCCN(Cc1ccccc1Cl)C(=O)C(C)CNC
InChIInChI=1S/C16H25ClN2O/c1-4-5-10-19(16(20)13(2)11-18-3)12-14-8-6-7-9-15(14)17/h6-9,13,18H,4-5,10-12H2,1-3H3
InChIKeyBIXJKJIYGIIQSW-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.32
Rot. Bonds8

About N-butyl-N-[(2-chlorophenyl)methyl]-2-methyl-3-(methylamino)propanamide

N-butyl-N-[(2-chlorophenyl)methyl]-2-methyl-3-(methylamino)propanamide (PubChem CID 119769462) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-butyl-N-[(2-chlorophenyl)methyl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-butyl-N-[(2-chlorophenyl)methyl]-2-methyl-3-(methylamino)propanamide
PubChem CID119769462
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-butyl-N-[(2-chlorophenyl)methyl]-2-methyl-3-(methylamino)propanamide
SMILESCCCCN(Cc1ccccc1Cl)C(=O)C(C)CNC
InChIInChI=1S/C16H25ClN2O/c1-4-5-10-19(16(20)13(2)11-18-3)12-14-8-6-7-9-15(14)17/h6-9,13,18H,4-5,10-12H2,1-3H3
InChIKeyBIXJKJIYGIIQSW-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-3-(methylamino)-N-[(2-methylphenyl)methyl]propanamide;hydrochloride
CID 119722155
2-amino-N-butyl-N-[(2-chlorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120791703
N-[(2,3-dichlorophenyl)methyl]-N,2-dimethyl-3-(methylamino)propanamide
CID 79196121
(2R)-2-amino-N-[(2-chlorophenyl)methyl]-N-ethylpropanamide
CID 78973445
4-[[butyl-[(2-chlorophenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024885
N-[(2-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514772
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119774350
1-butyl-1-[(2,3-dichlorophenyl)methyl]urea
CID 118625499
N-[(3,4-dichlorophenyl)methyl]-N-ethyl-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119743606
2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol
CID 60689529
N-[(2-chlorophenyl)methyl]-2-ethyl-N-(2-pyridin-2-ylethyl)hexanamide
CID 42696835
4-[acetyl-[(2-chlorophenyl)methyl]amino]butanoic acid
CID 39369198

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(2-chlorophenyl)methyl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-butyl-N-[(2-chlorophenyl)methyl]-2-methyl-3-(methylamino)propanamide (CID 119769462) is N-butyl-N-[(2-chlorophenyl)methyl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-butyl-N-[(2-chlorophenyl)methyl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-butyl-N-[(2-chlorophenyl)methyl]-2-methyl-3-(methylamino)propanamide is CCCCN(Cc1ccccc1Cl)C(=O)C(C)CNC.
What is the InChIKey of N-butyl-N-[(2-chlorophenyl)methyl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is BIXJKJIYGIIQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-4-5-10-19(16(20)13(2)11-18-3)12-14-8-6-7-9-15(14)17/h6-9,13,18H,4-5,10-12H2,1-3H3.
What are the key properties of N-butyl-N-[(2-chlorophenyl)methyl]-2-methyl-3-(methylamino)propanamide?
N-butyl-N-[(2-chlorophenyl)methyl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 296.84 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(2-chlorophenyl)methyl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 119769462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).