cis-(1R,3S)-3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide

C17H24N2O — CID 100645426

IUPACcis-(1R,3S)-3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CCN(CCc1ccccc1)C(=O)[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C17H24N2O/c1-2-11-19(12-10-14-6-4-3-5-7-14)17(20)15-8-9-16(18)13-15/h2-7,15-16H,1,8-13,18H2/t15-,16+/m1/s1
InChIKeyPSUVUENVWWLZPM-CVEARBPZSA-N
MW272.39 g/mol
LogP2.37
Rot. Bonds6

About cis-(1R,3S)-3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide

cis-(1R,3S)-3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide (PubChem CID 100645426) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is cis-(1R,3S)-3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide
PubChem CID100645426
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Namecis-(1R,3S)-3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide
SMILESC=CCN(CCc1ccccc1)C(=O)[C@@H]1CC[C@H](N)C1
InChIInChI=1S/C17H24N2O/c1-2-11-19(12-10-14-6-4-3-5-7-14)17(20)15-8-9-16(18)13-15/h2-7,15-16H,1,8-13,18H2/t15-,16+/m1/s1
InChIKeyPSUVUENVWWLZPM-CVEARBPZSA-N
XLogP2.37
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 ≤ 52.37
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-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide
CID 119033370
3-amino-N-benzyl-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119675945
3-amino-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 119691845
3-amino-N-methyl-N-(4-phenylbutyl)cyclopentane-1-carboxamide
CID 66009595
3-amino-N-(2-amino-2-oxoethyl)-N-benzylcyclopentane-1-carboxamide
CID 119783021
benzyl N-(2-phenylethyl)-N-prop-2-enylcarbamate
CID 102443361
3-amino-N-(oxolan-3-yl)-N-(2-phenylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119820576
cis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide
CID 133119161
3-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305396
3-amino-N-benzyl-N-(4-methoxybutyl)cyclopentane-1-carboxamide
CID 119752506
3-amino-N-methyl-N-(2-phenylethyl)cyclobutane-1-carboxamide
CID 115161711
(2S)-2-amino-N-(2-phenylethyl)-N-prop-2-enylpropanamide;hydrochloride
CID 119305394

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide (CID 100645426) is cis-(1R,3S)-3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide is C=CCN(CCc1ccccc1)C(=O)[C@@H]1CC[C@H](N)C1.
What is the InChIKey of cis-(1R,3S)-3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide?
The InChIKey is PSUVUENVWWLZPM-CVEARBPZSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-11-19(12-10-14-6-4-3-5-7-14)17(20)15-8-9-16(18)13-15/h2-7,15-16H,1,8-13,18H2/t15-,16+/m1/s1.
What are the key properties of cis-(1R,3S)-3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide?
cis-(1R,3S)-3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-amino-N-(2-phenylethyl)-N-prop-2-enylcyclopentane-1-carboxamide is sourced from PubChem (CID 100645426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).