N,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide

C17H28N2O — CID 119806881

IUPACN,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide
SMILESCCC(Cc1ccc(C)cc1)N(C)C(=O)C(C)CNC
InChIInChI=1S/C17H28N2O/c1-6-16(11-15-9-7-13(2)8-10-15)19(5)17(20)14(3)12-18-4/h7-10,14,16,18H,6,11-12H2,1-5H3
InChIKeyWOIZYPYOCIXYFI-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.63
Rot. Bonds7

About N,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide

N,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide (PubChem CID 119806881) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide.

Molecular Properties

Compound NameN,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide
PubChem CID119806881
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide
SMILESCCC(Cc1ccc(C)cc1)N(C)C(=O)C(C)CNC
InChIInChI=1S/C17H28N2O/c1-6-16(11-15-9-7-13(2)8-10-15)19(5)17(20)14(3)12-18-4/h7-10,14,16,18H,6,11-12H2,1-5H3
InChIKeyWOIZYPYOCIXYFI-UHFFFAOYSA-N
XLogP2.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,2-dimethyl-3-(methylamino)-N-(1-methylsulfanylbutan-2-yl)propanamide
CID 112659089
3-[[methyl-[1-(4-methylphenyl)butan-2-yl]carbamoyl]amino]propanoic acid
CID 122017579
4-(aminomethyl)-N-methyl-N-[(2S)-1-(4-methylphenyl)butan-2-yl]benzamide
CID 97235291
(2S)-N-cyclopropyl-2-methyl-3-(methylamino)-N-[(4-methylphenyl)methyl]propanamide
CID 97157102
4-(aminomethyl)-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]benzamide;hydrochloride
CID 75429854
N-methyl-N-[1-(4-methylphenyl)propan-2-yl]acetamide
CID 165361906
N-methyl-N-[1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide
CID 122142637
N-methyl-N-[(2R)-1-(4-methylphenyl)butan-2-yl]-1H-pyrazole-4-carboxamide
CID 124607313
N-methyl-N-[1-(4-methylphenyl)butan-2-yl]pyrrolidine-3-carboxamide
CID 119806895
2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)ethyl]-N-(2,2,2-trifluoroethyl)propanamide;hydrochloride
CID 119805829
N-methyl-2-[methyl-[(2R)-1-(4-methylphenyl)propan-2-yl]amino]acetamide
CID 95633042
3-amino-N-methyl-N-[1-(4-methylphenyl)butan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119806868

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide?
The IUPAC name of N,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide (CID 119806881) is N,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide.
What is the SMILES notation for N,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide?
The canonical SMILES for N,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide is CCC(Cc1ccc(C)cc1)N(C)C(=O)C(C)CNC.
What is the InChIKey of N,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide?
The InChIKey is WOIZYPYOCIXYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-6-16(11-15-9-7-13(2)8-10-15)19(5)17(20)14(3)12-18-4/h7-10,14,16,18H,6,11-12H2,1-5H3.
What are the key properties of N,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide?
N,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide has a molecular weight of 276.42 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(methylamino)-N-[1-(4-methylphenyl)butan-2-yl]propanamide is sourced from PubChem (CID 119806881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).