N-[(4-methoxyphenyl)methyl]-3-methylbutanamide

C13H19NO2 — CID 877839

IUPACN-[(4-methoxyphenyl)methyl]-3-methylbutanamide
SMILESCOc1ccc(CNC(=O)CC(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-10(2)8-13(15)14-9-11-4-6-12(16-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyUPZFRLJRFPQKKO-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.36
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-3-methylbutanamide

N-[(4-methoxyphenyl)methyl]-3-methylbutanamide (PubChem CID 877839) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-methylbutanamide
PubChem CID877839
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-methylbutanamide
SMILESCOc1ccc(CNC(=O)CC(C)C)cc1
InChIInChI=1S/C13H19NO2/c1-10(2)8-13(15)14-9-11-4-6-12(16-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,14,15)
InChIKeyUPZFRLJRFPQKKO-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-methoxyphenyl)methyl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide
CID 108940806
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
N-[(4-methoxyphenyl)methyl]-2-(3-methylbutylamino)acetamide
CID 108998624
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 3434751
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
4-[(4-methoxyphenyl)methylamino]-3-methyl-4-oxobutanoic acid
CID 85397704
N-[(4-methoxyphenyl)methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1122194

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methylbutanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-methylbutanamide (CID 877839) is N-[(4-methoxyphenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-methylbutanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-methylbutanamide is COc1ccc(CNC(=O)CC(C)C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-methylbutanamide?
The InChIKey is UPZFRLJRFPQKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)8-13(15)14-9-11-4-6-12(16-3)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,14,15).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-methylbutanamide?
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide has a molecular weight of 221.30 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 877839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).