N-[3-(aminomethyl)-2,4-dimethylphenyl]butanamide

C13H20N2O — CID 165439706

IUPACN-[3-(aminomethyl)-2,4-dimethylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C)c(CN)c1C
InChIInChI=1S/C13H20N2O/c1-4-5-13(16)15-12-7-6-9(2)11(8-14)10(12)3/h6-7H,4-5,8,14H2,1-3H3,(H,15,16)
InChIKeyCXAOZPHRDJVGHC-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.50
Rot. Bonds4

About N-[3-(aminomethyl)-2,4-dimethylphenyl]butanamide

N-[3-(aminomethyl)-2,4-dimethylphenyl]butanamide (PubChem CID 165439706) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[3-(aminomethyl)-2,4-dimethylphenyl]butanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-2,4-dimethylphenyl]butanamide
PubChem CID165439706
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[3-(aminomethyl)-2,4-dimethylphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C)c(CN)c1C
InChIInChI=1S/C13H20N2O/c1-4-5-13(16)15-12-7-6-9(2)11(8-14)10(12)3/h6-7H,4-5,8,14H2,1-3H3,(H,15,16)
InChIKeyCXAOZPHRDJVGHC-UHFFFAOYSA-N
XLogP2.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2,6-dimethylphenyl)butanamide
CID 24711453
4-(3-hydroxy-2,4-dimethylanilino)-4-oxobutanoic acid
CID 54868294
5-oxo-5-(2,3,4-trimethylanilino)pentanoic acid
CID 115163822
N-(5-bromo-2-methylphenyl)butanamide
CID 43806329
N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide
CID 119747442
4-(3-methoxy-2,4-dimethylanilino)-4-oxobutanoic acid
CID 54868313
N-[4,5,8-tris(butanoylamino)-9,10-dioxoanthracen-1-yl]butanamide
CID 91745988
N-[2-methyl-5-(4-methylphenyl)phenyl]butanamide
CID 170112868
N-[3-[(3-amino-3-phenylpropanoyl)amino]-2-methylphenyl]butanamide
CID 119950525
N-[5-(aminomethyl)-2-methylphenyl]hexanamide
CID 62104488
4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
N-[4-[(1-amino-2-chloroethylidene)amino]-2-methylphenyl]butanamide
CID 169367399

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-2,4-dimethylphenyl]butanamide?
The IUPAC name of N-[3-(aminomethyl)-2,4-dimethylphenyl]butanamide (CID 165439706) is N-[3-(aminomethyl)-2,4-dimethylphenyl]butanamide.
What is the SMILES notation for N-[3-(aminomethyl)-2,4-dimethylphenyl]butanamide?
The canonical SMILES for N-[3-(aminomethyl)-2,4-dimethylphenyl]butanamide is CCCC(=O)Nc1ccc(C)c(CN)c1C.
What is the InChIKey of N-[3-(aminomethyl)-2,4-dimethylphenyl]butanamide?
The InChIKey is CXAOZPHRDJVGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-5-13(16)15-12-7-6-9(2)11(8-14)10(12)3/h6-7H,4-5,8,14H2,1-3H3,(H,15,16).
What are the key properties of N-[3-(aminomethyl)-2,4-dimethylphenyl]butanamide?
N-[3-(aminomethyl)-2,4-dimethylphenyl]butanamide has a molecular weight of 220.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-2,4-dimethylphenyl]butanamide is sourced from PubChem (CID 165439706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).