3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide

C17H26N2O — CID 103812586

IUPAC3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide
SMILESCCC1(CNC(=O)C(CN)c2ccccc2)CCCC1
InChIInChI=1S/C17H26N2O/c1-2-17(10-6-7-11-17)13-19-16(20)15(12-18)14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13,18H2,1H3,(H,19,20)
InChIKeyAECFEYOIIGBSCH-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.82
Rot. Bonds6

About 3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide

3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide (PubChem CID 103812586) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide
PubChem CID103812586
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide
SMILESCCC1(CNC(=O)C(CN)c2ccccc2)CCCC1
InChIInChI=1S/C17H26N2O/c1-2-17(10-6-7-11-17)13-19-16(20)15(12-18)14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13,18H2,1H3,(H,19,20)
InChIKeyAECFEYOIIGBSCH-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[(3-amino-2-phenylpropanoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164548
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CID 103970144
(2S)-N-[(1-ethylcyclobutyl)methyl]-2-hydroxy-2-phenylacetamide
CID 167798849
N-[(1-aminocyclohexyl)methyl]-2-phenylbutanamide
CID 119404563
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-phenylbutanamide
CID 114757941
N-[(1-hydroxycyclobutyl)methyl]-2-phenylbutanamide
CID 115643598
1-[(1-ethylcyclobutyl)methyl]-3-(3-hydroxy-3-phenylpropyl)urea
CID 111969619
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,2-diphenylacetamide
CID 110416741
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
2-[[(3-amino-2-phenylpropanoyl)amino]methyl]butanoic acid
CID 65224288
3-amino-N-(2-ethyl-2-hydroxybutyl)-2-phenylpropanamide
CID 65106734
3-amino-N-[(4-ethylcyclohexyl)methyl]-2-phenylpropanamide
CID 62876968

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide?
The IUPAC name of 3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide (CID 103812586) is 3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide is CCC1(CNC(=O)C(CN)c2ccccc2)CCCC1.
What is the InChIKey of 3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide?
The InChIKey is AECFEYOIIGBSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-17(10-6-7-11-17)13-19-16(20)15(12-18)14-8-4-3-5-9-14/h3-5,8-9,15H,2,6-7,10-13,18H2,1H3,(H,19,20).
What are the key properties of 3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide?
3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-ethylcyclopentyl)methyl]-2-phenylpropanamide is sourced from PubChem (CID 103812586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).