3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide

C13H20N2O — CID 64686332

IUPAC3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(CNC(=O)CC(C)(C)N)cc1
InChIInChI=1S/C13H20N2O/c1-10-4-6-11(7-5-10)9-15-12(16)8-13(2,3)14/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyVWESLSBZYZVLRO-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.74
Rot. Bonds4

About 3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide

3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide (PubChem CID 64686332) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide
PubChem CID64686332
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide
SMILESCc1ccc(CNC(=O)CC(C)(C)N)cc1
InChIInChI=1S/C13H20N2O/c1-10-4-6-11(7-5-10)9-15-12(16)8-13(2,3)14/h4-7H,8-9,14H2,1-3H3,(H,15,16)
InChIKeyVWESLSBZYZVLRO-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-methyl-N-[(4-methylsulfonylphenyl)methyl]butanamide
CID 64679667
3-amino-N-[(4-butan-2-ylphenyl)methyl]-3-methylbutanamide
CID 115154967
3-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 64677992
3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]-3-methylbutanamide
CID 71731035
2-amino-3,3,3-trifluoro-2-methyl-N-[(4-methylphenyl)methyl]propanamide
CID 79796775
N-[(4-methylphenyl)methyl]butanamide
CID 835678
3-amino-N-[(4-ethoxy-3-methylphenyl)methyl]-3-methylbutanamide
CID 115154979
3-amino-N-[(2-methoxy-5-methylphenyl)methyl]-3-methylbutanamide
CID 115154960
N-[[4-(aminomethyl)phenyl]methyl]-2-(4-methylphenyl)acetamide
CID 60917944
N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide
CID 60893152
3-amino-N-[(3-bromophenyl)methyl]-3-methylbutanamide
CID 64678020
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide?
The IUPAC name of 3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide (CID 64686332) is 3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide?
The canonical SMILES for 3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide is Cc1ccc(CNC(=O)CC(C)(C)N)cc1.
What is the InChIKey of 3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide?
The InChIKey is VWESLSBZYZVLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10-4-6-11(7-5-10)9-15-12(16)8-13(2,3)14/h4-7H,8-9,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide?
3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide has a molecular weight of 220.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-[(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 64686332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).