2-amino-N-[(3-methylphenyl)methyl]butanamide

C12H18N2O — CID 60915006

IUPAC2-amino-N-[(3-methylphenyl)methyl]butanamide
SMILESCCC(N)C(=O)NCc1cccc(C)c1
InChIInChI=1S/C12H18N2O/c1-3-11(13)12(15)14-8-10-6-4-5-9(2)7-10/h4-7,11H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyTWRHFMMNCADTSL-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.35
Rot. Bonds4

About 2-amino-N-[(3-methylphenyl)methyl]butanamide

2-amino-N-[(3-methylphenyl)methyl]butanamide (PubChem CID 60915006) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-amino-N-[(3-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[(3-methylphenyl)methyl]butanamide
PubChem CID60915006
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-amino-N-[(3-methylphenyl)methyl]butanamide
SMILESCCC(N)C(=O)NCc1cccc(C)c1
InChIInChI=1S/C12H18N2O/c1-3-11(13)12(15)14-8-10-6-4-5-9(2)7-10/h4-7,11H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyTWRHFMMNCADTSL-UHFFFAOYSA-N
XLogP1.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680
(2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide
CID 119287307
(2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride
CID 119279834
ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 169133923
2-bromo-3-methyl-N-[(3-methylphenyl)methyl]butanamide
CID 60913283
(3-methylphenyl)methylurea
CID 60776531
N-[(3-methylphenyl)methyl]-2,2-diphenylacetamide
CID 38293786
2-amino-N-(3-methylphenyl)butanamide
CID 43649463
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
(2R)-2-(3,4-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 94019474
(2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 92682902
N'-butan-2-yl-N-[(3-methylphenyl)methyl]propanediamide
CID 108941756

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methylphenyl)methyl]butanamide?
The IUPAC name of 2-amino-N-[(3-methylphenyl)methyl]butanamide (CID 60915006) is 2-amino-N-[(3-methylphenyl)methyl]butanamide.
What is the SMILES notation for 2-amino-N-[(3-methylphenyl)methyl]butanamide?
The canonical SMILES for 2-amino-N-[(3-methylphenyl)methyl]butanamide is CCC(N)C(=O)NCc1cccc(C)c1.
What is the InChIKey of 2-amino-N-[(3-methylphenyl)methyl]butanamide?
The InChIKey is TWRHFMMNCADTSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-11(13)12(15)14-8-10-6-4-5-9(2)7-10/h4-7,11H,3,8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-amino-N-[(3-methylphenyl)methyl]butanamide?
2-amino-N-[(3-methylphenyl)methyl]butanamide has a molecular weight of 206.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methylphenyl)methyl]butanamide is sourced from PubChem (CID 60915006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).