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

C16H25ClN2O — CID 47145321

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-6-16(3,4)18-15(20)12(2)19(5)11-13-8-7-9-14(17)10-13/h7-10,12H,6,11H2,1-5H3,(H,18,20)
InChIKeyKCJQJNUHESFCHG-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.47
Rot. Bonds6

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

2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 47145321) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methylbutan-2-yl)propanamide
PubChem CID47145321
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C16H25ClN2O/c1-6-16(3,4)18-15(20)12(2)19(5)11-13-8-7-9-14(17)10-13/h7-10,12H,6,11H2,1-5H3,(H,18,20)
InChIKeyKCJQJNUHESFCHG-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methyl-methylamino]propanamide
CID 18094060
2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18094062
N-tert-butyl-2-[(3-chlorophenyl)methyl-propanoylamino]propanamide
CID 133260357
(2R)-2-[(3-chlorophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 9251072
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide
CID 51167376
2-[(3-chlorophenyl)methyl-methylamino]-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 42893690
N-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl-methylamino]propanamide
CID 51167371
3-[methyl-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]propanoic acid;hydrochloride
CID 119911897
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 55525636
N-tert-butyl-2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]propanamide
CID 133145508
2-[2-aminoethyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61349502
2-(3-amino-N-methylanilino)-N-(2-methylbutan-2-yl)propanamide
CID 61296584

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methylbutan-2-yl)propanamide (CID 47145321) is 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is KCJQJNUHESFCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-6-16(3,4)18-15(20)12(2)19(5)11-13-8-7-9-14(17)10-13/h7-10,12H,6,11H2,1-5H3,(H,18,20).
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methylbutan-2-yl)propanamide?
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 296.84 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 47145321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).