2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide

C16H26N2O — CID 119732056

IUPAC2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide
SMILESCNCC(C)C(=O)NCC(c1ccccc1)C(C)C
InChIInChI=1S/C16H26N2O/c1-12(2)15(14-8-6-5-7-9-14)11-18-16(19)13(3)10-17-4/h5-9,12-13,15,17H,10-11H2,1-4H3,(H,18,19)
InChIKeyBHEQWEBIZLQUNO-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.40
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide

2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide (PubChem CID 119732056) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide
PubChem CID119732056
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide
SMILESCNCC(C)C(=O)NCC(c1ccccc1)C(C)C
InChIInChI=1S/C16H26N2O/c1-12(2)15(14-8-6-5-7-9-14)11-18-16(19)13(3)10-17-4/h5-9,12-13,15,17H,10-11H2,1-4H3,(H,18,19)
InChIKeyBHEQWEBIZLQUNO-UHFFFAOYSA-N
XLogP2.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide
CID 79195494
(2S)-2-methoxy-N-[(2R)-3-methyl-2-phenylbutyl]-2-phenylacetamide
CID 95633628
N-(2-methoxy-2-phenylethyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119703920
2-amino-N-(3-methyl-2-phenylbutyl)-3-phenylpropanamide;hydrochloride
CID 119294110
2-amino-N-(3-methyl-2-phenylbutyl)acetamide;hydrochloride
CID 119294102
2-methyl-3-(methylamino)-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669709
1-(2,2-dimethylpropyl)-3-(3-methyl-2-phenylbutyl)urea
CID 112840322
N-(3-methyl-2-phenylbutyl)hydroxylamine
CID 15169464
2-methyl-3-[(4-methyl-3-phenylpentanoyl)amino]propanoic acid
CID 75513474
N-methyl-2-[(3-methyl-2-phenylbutyl)amino]acetamide
CID 107875908
N-[2-[benzyl(methyl)amino]propyl]-2-methyl-3-(methylamino)propanamide
CID 119885715
4-methyl-3-phenylpentanoic acid
CID 3249521

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide (CID 119732056) is 2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide is CNCC(C)C(=O)NCC(c1ccccc1)C(C)C.
What is the InChIKey of 2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide?
The InChIKey is BHEQWEBIZLQUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)15(14-8-6-5-7-9-14)11-18-16(19)13(3)10-17-4/h5-9,12-13,15,17H,10-11H2,1-4H3,(H,18,19).
What are the key properties of 2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide?
2-methyl-3-(methylamino)-N-(3-methyl-2-phenylbutyl)propanamide has a molecular weight of 262.40 g/mol, XLogP of 2.40, 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-2-phenylbutyl)propanamide is sourced from PubChem (CID 119732056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).