2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide

C14H22N2O2 — CID 65230237

IUPAC2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide
SMILESCCOc1cccc(CNC(=O)C(CC)CN)c1
InChIInChI=1S/C14H22N2O2/c1-3-12(9-15)14(17)16-10-11-6-5-7-13(8-11)18-4-2/h5-8,12H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyFRORMYHCSAUNAC-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.69
Rot. Bonds7

About 2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide

2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide (PubChem CID 65230237) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide
PubChem CID65230237
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide
SMILESCCOc1cccc(CNC(=O)C(CC)CN)c1
InChIInChI=1S/C14H22N2O2/c1-3-12(9-15)14(17)16-10-11-6-5-7-13(8-11)18-4-2/h5-8,12H,3-4,9-10,15H2,1-2H3,(H,16,17)
InChIKeyFRORMYHCSAUNAC-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

3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide
CID 62671028
2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide
CID 60872985
4-[(3-ethoxyphenyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496650
methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate
CID 60872757
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
CID 99133064
2-(3,5-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 53288985
N-[(3-ethoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 92683249
3-amino-N-[(3-ethoxyphenyl)methyl]-2,2-dimethylpropanamide
CID 81489935
N-[(3-ethoxyphenyl)methyl]-3-methylbenzamide
CID 28572765
3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylbenzamide
CID 78984271
(2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 99131710

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide (CID 65230237) is 2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide is CCOc1cccc(CNC(=O)C(CC)CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide?
The InChIKey is FRORMYHCSAUNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-12(9-15)14(17)16-10-11-6-5-7-13(8-11)18-4-2/h5-8,12H,3-4,9-10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide?
2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide 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 2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 65230237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).