4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide

C14H22N2O — CID 81079151

IUPAC4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide
SMILESCCc1ccccc1CNC(=O)CC(C)CN
InChIInChI=1S/C14H22N2O/c1-3-12-6-4-5-7-13(12)10-16-14(17)8-11(2)9-15/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17)
InChIKeyYMEFFAAAKXWQMW-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.85
Rot. Bonds6

About 4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide

4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide (PubChem CID 81079151) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide
PubChem CID81079151
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide
SMILESCCc1ccccc1CNC(=O)CC(C)CN
InChIInChI=1S/C14H22N2O/c1-3-12-6-4-5-7-13(12)10-16-14(17)8-11(2)9-15/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17)
InChIKeyYMEFFAAAKXWQMW-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[(2,5-dimethylphenyl)methyl]-3-methylbutanamide
CID 115156350
4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide
CID 81079297
4-amino-3-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 81087122
N-[(2-ethylphenyl)methyl]-2-methylpropanamide
CID 64694185
N-[(2-ethylphenyl)methyl]-2-propan-2-yloxyacetamide
CID 112692670
4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide
CID 114332207
4-amino-3-methyl-N-(2-phenylethyl)butanamide
CID 81070116
4-amino-3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 81084192
4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 113266036
3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide
CID 81070620
4-amino-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide
CID 115156367
5-[[2-[(dimethylamino)methyl]phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62964535

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide (CID 81079151) is 4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide is CCc1ccccc1CNC(=O)CC(C)CN.
What is the InChIKey of 4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide?
The InChIKey is YMEFFAAAKXWQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-12-6-4-5-7-13(12)10-16-14(17)8-11(2)9-15/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide?
4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide has a molecular weight of 234.34 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 81079151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).