3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide

C16H26N2O — CID 103729643

IUPAC3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide
SMILESCC(C)CC(NC(C(N)=O)C(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-11(2)10-14(13-8-6-5-7-9-13)18-15(12(3)4)16(17)19/h5-9,11-12,14-15,18H,10H2,1-4H3,(H2,17,19)
InChIKeyANSOZLSJPLIEMK-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.87
Rot. Bonds7

About 3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide

3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide (PubChem CID 103729643) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide.

Molecular Properties

Compound Name3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide
PubChem CID103729643
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide
SMILESCC(C)CC(NC(C(N)=O)C(C)C)c1ccccc1
InChIInChI=1S/C16H26N2O/c1-11(2)10-14(13-8-6-5-7-9-13)18-15(12(3)4)16(17)19/h5-9,11-12,14-15,18H,10H2,1-4H3,(H2,17,19)
InChIKeyANSOZLSJPLIEMK-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,3-dimethyl-1-phenylbutyl)amino]-3-methylbutanamide
CID 106344306
(2R)-2-(benzhydrylamino)-3-methylbutanamide
CID 54455149
(2S)-2-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-3-methylbutanamide
CID 66657959
2-[(3-methyl-1-phenylbutyl)amino]acetamide
CID 16774188
2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine
CID 63438592
3-methyl-1-phenyl-N-(1-phenylethyl)butan-1-amine
CID 43081295
3-methyl-1-phenyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 81351399
2-[1-(3-bromophenyl)propylamino]-3-methylbutanamide
CID 106344282
3-methyl-2-(1-phenylpropan-2-ylamino)butanamide
CID 106344213
(2R)-2-amino-N-(3-methyl-1-phenylbutyl)propanamide
CID 78972266
(2S)-2-[[(1S)-3-methyl-1-phenylbutyl]amino]-N-phenylpropanamide
CID 8645970
2-[(3-methyl-1-phenylbutyl)amino]acetic acid
CID 43135143

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide?
The IUPAC name of 3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide (CID 103729643) is 3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide.
What is the SMILES notation for 3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide?
The canonical SMILES for 3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide is CC(C)CC(NC(C(N)=O)C(C)C)c1ccccc1.
What is the InChIKey of 3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide?
The InChIKey is ANSOZLSJPLIEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-11(2)10-14(13-8-6-5-7-9-13)18-15(12(3)4)16(17)19/h5-9,11-12,14-15,18H,10H2,1-4H3,(H2,17,19).
What are the key properties of 3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide?
3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide has a molecular weight of 262.40 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3-methyl-1-phenylbutyl)amino]butanamide is sourced from PubChem (CID 103729643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).