4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide

C17H25N3O — CID 63324219

IUPAC4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
SMILESNC(CCC(=O)NC1CCN(C2CC2)C1)c1ccccc1
InChIInChI=1S/C17H25N3O/c18-16(13-4-2-1-3-5-13)8-9-17(21)19-14-10-11-20(12-14)15-6-7-15/h1-5,14-16H,6-12,18H2,(H,19,21)
InChIKeyUTSQMZZQBFIXDL-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.82
Rot. Bonds6

About 4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide

4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide (PubChem CID 63324219) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
PubChem CID63324219
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
SMILESNC(CCC(=O)NC1CCN(C2CC2)C1)c1ccccc1
InChIInChI=1S/C17H25N3O/c18-16(13-4-2-1-3-5-13)8-9-17(21)19-14-10-11-20(12-14)15-6-7-15/h1-5,14-16H,6-12,18H2,(H,19,21)
InChIKeyUTSQMZZQBFIXDL-UHFFFAOYSA-N
XLogP1.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324217
3-amino-N-(1-cyclopropylpiperidin-4-yl)-3-phenylpropanamide
CID 43711758
3-(benzenesulfonamido)-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]propanamide
CID 94694763
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide
CID 79377333
2-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
CID 114928005
3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide
CID 104502509
4-amino-N-(oxan-3-yl)-4-phenylbutanamide
CID 63363689
4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide
CID 107222076
3-amino-3-phenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 43711347
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
3-(2-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612227
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide
CID 114629642

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide?
The IUPAC name of 4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide (CID 63324219) is 4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide is NC(CCC(=O)NC1CCN(C2CC2)C1)c1ccccc1.
What is the InChIKey of 4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide?
The InChIKey is UTSQMZZQBFIXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-16(13-4-2-1-3-5-13)8-9-17(21)19-14-10-11-20(12-14)15-6-7-15/h1-5,14-16H,6-12,18H2,(H,19,21).
What are the key properties of 4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide?
4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide has a molecular weight of 287.41 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide is sourced from PubChem (CID 63324219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).