3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide

C16H24N2O — CID 115341674

IUPAC3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide
SMILESC[C@H](NC(=O)CCc1ccc(N)cc1)C1CCCC1
InChIInChI=1S/C16H24N2O/c1-12(14-4-2-3-5-14)18-16(19)11-8-13-6-9-15(17)10-7-13/h6-7,9-10,12,14H,2-5,8,11,17H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyZRUBFGKGRPRVSS-LBPRGKRZSA-N
MW260.38 g/mol
LogP2.90
Rot. Bonds5

About 3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide

3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide (PubChem CID 115341674) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide
PubChem CID115341674
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide
SMILESC[C@H](NC(=O)CCc1ccc(N)cc1)C1CCCC1
InChIInChI=1S/C16H24N2O/c1-12(14-4-2-3-5-14)18-16(19)11-8-13-6-9-15(17)10-7-13/h6-7,9-10,12,14H,2-5,8,11,17H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeyZRUBFGKGRPRVSS-LBPRGKRZSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide
CID 104502552
3-(4-aminophenyl)-N-[(1R)-1-cyclohexylethyl]butanamide
CID 104502868
N,N'-bis[(1S)-1-cyclohexylethyl]butanediamide
CID 132596983
3-(4-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309033
N-cyclopentyl-3-(4-propan-2-ylphenyl)propanamide
CID 19221387
2-(4-aminophenyl)-N-[1-(oxan-4-yl)ethyl]acetamide;hydrochloride
CID 119801734
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446
2-(4-aminophenyl)-N-(3-cyclohexylbutan-2-yl)acetamide;hydrochloride
CID 119809026
3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide
CID 43371351
(2S,3R)-2-[3-(4-aminophenyl)propanoylamino]-3-hydroxybutanoic acid
CID 104965265
N-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 119589025
3-(4-aminophenyl)-N-(oxetan-3-yl)propanamide
CID 115341599

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide (CID 115341674) is 3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide is C[C@H](NC(=O)CCc1ccc(N)cc1)C1CCCC1.
What is the InChIKey of 3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide?
The InChIKey is ZRUBFGKGRPRVSS-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(14-4-2-3-5-14)18-16(19)11-8-13-6-9-15(17)10-7-13/h6-7,9-10,12,14H,2-5,8,11,17H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide?
3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide has a molecular weight of 260.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[(1S)-1-cyclopentylethyl]propanamide is sourced from PubChem (CID 115341674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).