2-amino-N-(3-methylphenyl)butanamide

C11H16N2O — CID 43649463

IUPAC2-amino-N-(3-methylphenyl)butanamide
SMILESCCC(N)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C11H16N2O/c1-3-10(12)11(14)13-9-6-4-5-8(2)7-9/h4-7,10H,3,12H2,1-2H3,(H,13,14)
InChIKeyAPGJRLUEAUWDCH-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.67
Rot. Bonds3

About 2-amino-N-(3-methylphenyl)butanamide

2-amino-N-(3-methylphenyl)butanamide (PubChem CID 43649463) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-amino-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(3-methylphenyl)butanamide
PubChem CID43649463
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-amino-N-(3-methylphenyl)butanamide
SMILESCCC(N)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C11H16N2O/c1-3-10(12)11(14)13-9-6-4-5-8(2)7-9/h4-7,10H,3,12H2,1-2H3,(H,13,14)
InChIKeyAPGJRLUEAUWDCH-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-4-methyl-N-(3-methylphenyl)pentanamide
CID 22691033
2-amino-N-[3-(carbamoylamino)phenyl]butanamide
CID 43710987
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
methyl N-[3-(2-aminobutanoylamino)phenyl]carbamate
CID 54862261
(2S)-2-amino-N-(3-chlorophenyl)butanamide;hydrochloride
CID 119262061
(2S)-2-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]butanamide
CID 119287307
2-ethyl-N-(3-methylphenyl)pentanamide
CID 20659416
2-amino-N-(3-iodo-4-methylphenyl)butanamide
CID 43707975
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
2-[3-[[(2S)-2-aminobutanoyl]amino]phenoxy]acetic acid
CID 79023142
[1-(3-methylanilino)-1-oxobutan-2-yl] 4-aminobenzoate
CID 23803282
4-amino-2-methyl-N-(3-methylphenyl)butanamide
CID 80542067

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylphenyl)butanamide?
The IUPAC name of 2-amino-N-(3-methylphenyl)butanamide (CID 43649463) is 2-amino-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 2-amino-N-(3-methylphenyl)butanamide?
The canonical SMILES for 2-amino-N-(3-methylphenyl)butanamide is CCC(N)C(=O)Nc1cccc(C)c1.
What is the InChIKey of 2-amino-N-(3-methylphenyl)butanamide?
The InChIKey is APGJRLUEAUWDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-10(12)11(14)13-9-6-4-5-8(2)7-9/h4-7,10H,3,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-N-(3-methylphenyl)butanamide?
2-amino-N-(3-methylphenyl)butanamide has a molecular weight of 192.26 g/mol, XLogP of 1.67, 3 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)butanamide is sourced from PubChem (CID 43649463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).