4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide

C13H19ClN2O2 — CID 114227270

IUPAC4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide
SMILESCCOC(CN)CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-2-18-11(8-15)7-13(17)16-9-10-5-3-4-6-12(10)14/h3-6,11H,2,7-9,15H2,1H3,(H,16,17)
InChIKeyRJODRVQARLFAKW-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.71
Rot. Bonds7

About 4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide

4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide (PubChem CID 114227270) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide
PubChem CID114227270
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide
SMILESCCOC(CN)CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-2-18-11(8-15)7-13(17)16-9-10-5-3-4-6-12(10)14/h3-6,11H,2,7-9,15H2,1H3,(H,16,17)
InChIKeyRJODRVQARLFAKW-UHFFFAOYSA-N
XLogP1.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide
CID 81070620
ethyl 3-[(2-chlorophenyl)methylamino]-3-oxopropanoate
CID 23404876
4-amino-N-(2-chloro-6-fluorophenyl)-3-ethoxybutanamide
CID 114227566
4-amino-N-[(2-chlorophenyl)methyl]pentanamide;hydrochloride
CID 120558722
N'-[(2-chlorophenyl)methyl]-2-ethoxy-N'-methylbutane-1,4-diamine
CID 63069709
(E)-N-[(2-chlorophenyl)methyl]-3-ethoxy-3-hydroxyprop-2-enamide
CID 134090198
(3S)-3-acetamido-N-[(2-chlorophenyl)methyl]-3-phenylpropanamide
CID 9165289
N-[(2-chlorophenyl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 7639773
2-(3-amino-2-methylpropyl)sulfanyl-N-[(2-chlorophenyl)methyl]acetamide
CID 66226083
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
4-amino-N-[(2-ethylphenyl)methyl]-3-methylbutanamide
CID 81079151
2-(aminomethyl)-N-[(2-chlorophenyl)methyl]-4,4-dimethylpentanamide
CID 107470962

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide?
The IUPAC name of 4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide (CID 114227270) is 4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide.
What is the SMILES notation for 4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide?
The canonical SMILES for 4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide is CCOC(CN)CC(=O)NCc1ccccc1Cl.
What is the InChIKey of 4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide?
The InChIKey is RJODRVQARLFAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-2-18-11(8-15)7-13(17)16-9-10-5-3-4-6-12(10)14/h3-6,11H,2,7-9,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide?
4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide has a molecular weight of 270.76 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2-chlorophenyl)methyl]-3-ethoxybutanamide is sourced from PubChem (CID 114227270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).