3-amino-N-cyclopentyl-2-phenyl-N-prop-2-enylpropanamide

C17H24N2O — CID 62877146

IUPAC3-amino-N-cyclopentyl-2-phenyl-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)C(CN)c1ccccc1)C1CCCC1
InChIInChI=1S/C17H24N2O/c1-2-12-19(15-10-6-7-11-15)17(20)16(13-18)14-8-4-3-5-9-14/h2-5,8-9,15-16H,1,6-7,10-13,18H2
InChIKeyLLSGAHGWBIPCDO-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.69
Rot. Bonds6

About 3-amino-N-cyclopentyl-2-phenyl-N-prop-2-enylpropanamide

3-amino-N-cyclopentyl-2-phenyl-N-prop-2-enylpropanamide (PubChem CID 62877146) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-amino-N-cyclopentyl-2-phenyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-amino-N-cyclopentyl-2-phenyl-N-prop-2-enylpropanamide
PubChem CID62877146
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-amino-N-cyclopentyl-2-phenyl-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)C(CN)c1ccccc1)C1CCCC1
InChIInChI=1S/C17H24N2O/c1-2-12-19(15-10-6-7-11-15)17(20)16(13-18)14-8-4-3-5-9-14/h2-5,8-9,15-16H,1,6-7,10-13,18H2
InChIKeyLLSGAHGWBIPCDO-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-cyclopropyl-N-(2-hydroxyethyl)-2-phenylpropanamide
CID 62878882
benzyl (3S)-3-amino-4-[cyclopentyl(prop-2-enyl)amino]-4-oxobutanoate
CID 114274705
N-(2-aminoethyl)-N-cyclohexyl-2-phenylbutanamide
CID 63753534
2-amino-N-cyclopentyl-2-(4-methylphenyl)-N-prop-2-enylacetamide
CID 106312192
2-(aminomethyl)-N-cyclopentyl-3-methyl-N-prop-2-enylbutanamide
CID 65227548
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide
CID 62878205
3-amino-N-cyclopentyl-2-methoxy-N-prop-2-enylpropanamide
CID 106112124
(2S)-2-amino-N-cyclopentyl-N-prop-2-enylpropanamide
CID 61145863
3-amino-N-(cyclobutylmethyl)-N-methyl-2-phenylpropanamide;hydrochloride
CID 119770662
3-amino-N-methyl-N-(2-methylcyclohexyl)-2-phenylpropanamide
CID 62877491
(2R)-2-amino-N-cyclopentyl-3-(4-hydroxyphenyl)-N-prop-2-enylpropanamide
CID 104904891
2-anilino-N-cyclopentyl-N-prop-2-enylacetamide
CID 54872346

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopentyl-2-phenyl-N-prop-2-enylpropanamide?
The IUPAC name of 3-amino-N-cyclopentyl-2-phenyl-N-prop-2-enylpropanamide (CID 62877146) is 3-amino-N-cyclopentyl-2-phenyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-amino-N-cyclopentyl-2-phenyl-N-prop-2-enylpropanamide?
The canonical SMILES for 3-amino-N-cyclopentyl-2-phenyl-N-prop-2-enylpropanamide is C=CCN(C(=O)C(CN)c1ccccc1)C1CCCC1.
What is the InChIKey of 3-amino-N-cyclopentyl-2-phenyl-N-prop-2-enylpropanamide?
The InChIKey is LLSGAHGWBIPCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-12-19(15-10-6-7-11-15)17(20)16(13-18)14-8-4-3-5-9-14/h2-5,8-9,15-16H,1,6-7,10-13,18H2.
What are the key properties of 3-amino-N-cyclopentyl-2-phenyl-N-prop-2-enylpropanamide?
3-amino-N-cyclopentyl-2-phenyl-N-prop-2-enylpropanamide has a molecular weight of 272.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopentyl-2-phenyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 62877146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).