2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide

C17H28N2O — CID 119782823

IUPAC2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide
SMILESCNCC(C)C(=O)NC(CC(C)C)c1ccccc1C
InChIInChI=1S/C17H28N2O/c1-12(2)10-16(15-9-7-6-8-13(15)3)19-17(20)14(4)11-18-5/h6-9,12,14,16,18H,10-11H2,1-5H3,(H,19,20)
InChIKeyDFTYZASCAOSOLD-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide

2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide (PubChem CID 119782823) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide
PubChem CID119782823
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide
SMILESCNCC(C)C(=O)NC(CC(C)C)c1ccccc1C
InChIInChI=1S/C17H28N2O/c1-12(2)10-16(15-9-7-6-8-13(15)3)19-17(20)14(4)11-18-5/h6-9,12,14,16,18H,10-11H2,1-5H3,(H,19,20)
InChIKeyDFTYZASCAOSOLD-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-ethoxyphenyl)-3-methylbutyl]-2-methyl-3-(methylamino)propanamide
CID 119812335
3-amino-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide;hydrochloride
CID 119323120
2-amino-N-[3-methyl-1-(2-methylphenyl)butyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793021
1-[3-methyl-1-(2-methylphenyl)butyl]-3-pyridazin-3-ylurea
CID 126775065
2-[[3-methyl-1-(2-methylphenyl)butyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119184887
1-[2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]-3-[3-methyl-1-(2-methylphenyl)butyl]urea
CID 166350813
N-[3-methyl-1-(2-methylphenyl)butyl]piperidine-4-carboxamide;hydrochloride
CID 119323124
4-hydroxy-N-[(1S)-3-methyl-1-(2-methylphenyl)butyl]thiane-4-carboxamide
CID 97330041
N-[(1S)-1-(2-chlorophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 81378790
N-[1-(2-bromophenyl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 79195760
3-(methylamino)-3-(2-methylphenyl)propanoic acid
CID 65236485
1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[(1S)-3-methyl-1-(2-methylphenyl)butyl]urea
CID 97072666

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide (CID 119782823) is 2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide is CNCC(C)C(=O)NC(CC(C)C)c1ccccc1C.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide?
The InChIKey is DFTYZASCAOSOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(2)10-16(15-9-7-6-8-13(15)3)19-17(20)14(4)11-18-5/h6-9,12,14,16,18H,10-11H2,1-5H3,(H,19,20).
What are the key properties of 2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide?
2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[3-methyl-1-(2-methylphenyl)butyl]propanamide is sourced from PubChem (CID 119782823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).