4-amino-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide

C14H22N2O2 — CID 115156367

IUPAC4-amino-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide
SMILESCCOc1ccc(CNC(=O)CC(C)CN)cc1
InChIInChI=1S/C14H22N2O2/c1-3-18-13-6-4-12(5-7-13)10-16-14(17)8-11(2)9-15/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17)
InChIKeyPCNZNSUQCBHNSX-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.69
Rot. Bonds7

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

4-amino-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide (PubChem CID 115156367) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-amino-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide
PubChem CID115156367
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-amino-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide
SMILESCCOc1ccc(CNC(=O)CC(C)CN)cc1
InChIInChI=1S/C14H22N2O2/c1-3-18-13-6-4-12(5-7-13)10-16-14(17)8-11(2)9-15/h4-7,11H,3,8-10,15H2,1-2H3,(H,16,17)
InChIKeyPCNZNSUQCBHNSX-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide
CID 114332207
N-[(4-ethoxyphenyl)methyl]-3-oxobutanamide
CID 115176377
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one
CID 116596464
N-[(4-ethoxyphenyl)methyl]-2-(methylamino)acetamide;hydrochloride
CID 119714333
N-[(4-ethoxyphenyl)methyl]-3-sulfanylpropanamide
CID 115167842
N'-[(4-ethoxyphenyl)methyl]oxamide
CID 115191812
2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20991624
3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide
CID 119758174
N-[2-(4-ethoxyphenyl)ethyl]-3-methylbutanamide
CID 110788101
N-[[4-(aminomethyl)phenyl]methyl]-4-ethoxybenzamide
CID 60918064
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide?
The IUPAC name of 4-amino-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide (CID 115156367) is 4-amino-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide.
What is the SMILES notation for 4-amino-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide?
The canonical SMILES for 4-amino-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide is CCOc1ccc(CNC(=O)CC(C)CN)cc1.
What is the InChIKey of 4-amino-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide?
The InChIKey is PCNZNSUQCBHNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-18-13-6-4-12(5-7-13)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-[(4-ethoxyphenyl)methyl]-3-methylbutanamide?
4-amino-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide has a molecular weight of 250.34 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-ethoxyphenyl)methyl]-3-methylbutanamide is sourced from PubChem (CID 115156367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).