2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide

C14H22N2O2 — CID 60872985

IUPAC2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1cccc(OCC)c1
InChIInChI=1S/C14H22N2O2/c1-3-6-13(15)14(17)16-10-11-7-5-8-12(9-11)18-4-2/h5,7-9,13H,3-4,6,10,15H2,1-2H3,(H,16,17)
InChIKeyGPXIWIOMEAQPPL-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.83
Rot. Bonds7

About 2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide

2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide (PubChem CID 60872985) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide
PubChem CID60872985
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide
SMILESCCCC(N)C(=O)NCc1cccc(OCC)c1
InChIInChI=1S/C14H22N2O2/c1-3-6-13(15)14(17)16-10-11-7-5-8-12(9-11)18-4-2/h5,7-9,13H,3-4,6,10,15H2,1-2H3,(H,16,17)
InChIKeyGPXIWIOMEAQPPL-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]pentanamide
CID 119304653
(2S)-2-amino-N-[(3-methoxyphenyl)methyl]pentanamide
CID 107568769
2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]pentanamide
CID 119315367
3-amino-N-[(3-ethoxyphenyl)methyl]-2-methylpropanamide
CID 62671028
2-amino-N-[(3-methylphenyl)methyl]pentanamide;hydrochloride
CID 119281680
2-(aminomethyl)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 65230237
2-amino-N-benzylpentanamide
CID 11020044
3-[[[(2R)-2-aminopentanoyl]amino]methyl]benzamide
CID 103795148
4-[(3-ethoxyphenyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496650
(2R)-N-[(3-ethoxyphenyl)methyl]-2-phenoxypropanamide
CID 94184628
(2S)-2-amino-N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]pentanamide
CID 153327338
N-[(3-ethoxyphenyl)methyl]but-2-enamide
CID 112728923

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide?
The IUPAC name of 2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide (CID 60872985) is 2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide.
What is the SMILES notation for 2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide?
The canonical SMILES for 2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide is CCCC(N)C(=O)NCc1cccc(OCC)c1.
What is the InChIKey of 2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide?
The InChIKey is GPXIWIOMEAQPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-6-13(15)14(17)16-10-11-7-5-8-12(9-11)18-4-2/h5,7-9,13H,3-4,6,10,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide?
2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide has a molecular weight of 250.34 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-ethoxyphenyl)methyl]pentanamide is sourced from PubChem (CID 60872985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).