2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide

C16H25N3O — CID 116693918

IUPAC2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide
SMILESCCC1CCN(CCC(N)(C(N)=O)c2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-2-13-8-10-19(12-13)11-9-16(18,15(17)20)14-6-4-3-5-7-14/h3-7,13H,2,8-12,18H2,1H3,(H2,17,20)
InChIKeyINKBCWQKVSSJSE-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.45
Rot. Bonds6

About 2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide

2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide (PubChem CID 116693918) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide.

Molecular Properties

Compound Name2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide
PubChem CID116693918
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide
SMILESCCC1CCN(CCC(N)(C(N)=O)c2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-2-13-8-10-19(12-13)11-9-16(18,15(17)20)14-6-4-3-5-7-14/h3-7,13H,2,8-12,18H2,1H3,(H2,17,20)
InChIKeyINKBCWQKVSSJSE-UHFFFAOYSA-N
XLogP1.45
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(4-ethylpiperazin-1-yl)-2-phenylbutanamide
CID 116693503
2-amino-4-(azocan-1-yl)-2-phenylbutanamide
CID 116693501
4-(3-ethylpyrrolidin-1-yl)-2-(methylamino)-2-phenylbutan-1-ol
CID 116695306
2-amino-4-(1-oxo-1,4-thiazinan-4-yl)-2-phenylbutanamide
CID 116693803
2-amino-4-[cyclopropylmethyl(methyl)amino]-2-phenylbutanamide
CID 116693782
2-amino-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropanamide
CID 83220952
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)-2-phenylbutanamide
CID 116693857
4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide
CID 103538046
2-amino-4-[methyl(3-methylbutyl)amino]-2-phenylbutanamide
CID 116693835
2-amino-2-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propanoic acid
CID 103501966
2-amino-4-(cyclohexylmethoxy)-2-phenylbutanamide
CID 116694375
1-benzyl-3-ethylpyrrolidine
CID 12648208

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide?
The IUPAC name of 2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide (CID 116693918) is 2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide.
What is the SMILES notation for 2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide?
The canonical SMILES for 2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide is CCC1CCN(CCC(N)(C(N)=O)c2ccccc2)C1.
What is the InChIKey of 2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide?
The InChIKey is INKBCWQKVSSJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-2-13-8-10-19(12-13)11-9-16(18,15(17)20)14-6-4-3-5-7-14/h3-7,13H,2,8-12,18H2,1H3,(H2,17,20).
What are the key properties of 2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide?
2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide has a molecular weight of 275.40 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-ethylpyrrolidin-1-yl)-2-phenylbutanamide is sourced from PubChem (CID 116693918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).