3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide

C17H26N2O — CID 80552136

IUPAC3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide
SMILESCC(NC(=O)C(C)C(N)c1ccccc1)C1CCCC1
InChIInChI=1S/C17H26N2O/c1-12(16(18)15-10-4-3-5-11-15)17(20)19-13(2)14-8-6-7-9-14/h3-5,10-14,16H,6-9,18H2,1-2H3,(H,19,20)
InChIKeyVNXBEJYKZRYSOZ-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.02
Rot. Bonds5

About 3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide

3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide (PubChem CID 80552136) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide
PubChem CID80552136
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide
SMILESCC(NC(=O)C(C)C(N)c1ccccc1)C1CCCC1
InChIInChI=1S/C17H26N2O/c1-12(16(18)15-10-4-3-5-11-15)17(20)19-13(2)14-8-6-7-9-14/h3-5,10-14,16H,6-9,18H2,1-2H3,(H,19,20)
InChIKeyVNXBEJYKZRYSOZ-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1R)-1-cyclohexylethyl]-2-methyl-3-phenylpropanamide
CID 81389040
(2R)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide
CID 81393222
(2S)-2-amino-N-[(1R)-1-cycloheptylethyl]-2-phenylacetamide
CID 104898224
(2R)-2-amino-N-[(1R)-1-cyclohexylethyl]-2-phenylacetamide
CID 81385705
3-amino-N-(1-cyclopropylpropan-2-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119784591
N-[(1R)-1-cyclopropylethyl]-2,2-diphenylacetamide
CID 8855432
2-amino-N-[(1R)-1-cycloheptylethyl]-3-phenylpropanamide
CID 81389396
(2R)-2-amino-N-[(1S)-1-cyclohexylethyl]-3-phenylpropanamide
CID 81386066
3-amino-2-methyl-3-phenyl-N-(1-phenylethyl)propanamide;hydrochloride
CID 119669700
(2S)-2-amino-N-[(1R)-1-cyclohexylethyl]-4-phenylbutanamide
CID 104984652
2-amino-N-(1-cyclohexylethyl)-4-phenylbutanamide
CID 114928101
3-amino-2-methyl-N-(2-methylcyclohexyl)-3-phenylpropanamide;hydrochloride
CID 119676490

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide?
The IUPAC name of 3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide (CID 80552136) is 3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide is CC(NC(=O)C(C)C(N)c1ccccc1)C1CCCC1.
What is the InChIKey of 3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide?
The InChIKey is VNXBEJYKZRYSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(16(18)15-10-4-3-5-11-15)17(20)19-13(2)14-8-6-7-9-14/h3-5,10-14,16H,6-9,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide?
3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide has a molecular weight of 274.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclopentylethyl)-2-methyl-3-phenylpropanamide is sourced from PubChem (CID 80552136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).