N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide

C18H26N2O2 — CID 56823427

IUPACN-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide
SMILESCOc1ccccc1/C=C/CNCCC(=O)NC1CCCC1
InChIInChI=1S/C18H26N2O2/c1-22-17-11-5-2-7-15(17)8-6-13-19-14-12-18(21)20-16-9-3-4-10-16/h2,5-8,11,16,19H,3-4,9-10,12-14H2,1H3,(H,20,21)/b8-6+
InChIKeyBJSBIEUZXGLYNE-SOFGYWHQSA-N
MW302.42 g/mol
LogP2.75
Rot. Bonds8

About N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide

N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide (PubChem CID 56823427) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide
PubChem CID56823427
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide
SMILESCOc1ccccc1/C=C/CNCCC(=O)NC1CCCC1
InChIInChI=1S/C18H26N2O2/c1-22-17-11-5-2-7-15(17)8-6-13-19-14-12-18(21)20-16-9-3-4-10-16/h2,5-8,11,16,19H,3-4,9-10,12-14H2,1H3,(H,20,21)/b8-6+
InChIKeyBJSBIEUZXGLYNE-SOFGYWHQSA-N
XLogP2.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-3-[2-(2-methoxyphenyl)ethylamino]propanamide
CID 109013977
N-(2-methoxyethyl)-3-(2-methoxyphenyl)prop-2-en-1-amine
CID 78918220
4-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]cyclohexane-1-carboxylic acid
CID 120509651
N-cyclopropyl-4-[2-(2-methoxyphenoxy)ethylamino]butanamide
CID 79379590
[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541665
N-cyclohexyl-3-(2,6-dimethoxyphenyl)propanamide
CID 100789356
N-cyclopentyl-4-(2-ethoxyphenoxy)butanamide
CID 78781833
N-[3-(2-methoxyphenyl)prop-2-enyl]-3-(oxan-2-yloxy)propan-1-amine
CID 126823813
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 73010718
(Z)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 97305713
(E)-N-cyclopentyl-3-(2-ethoxyphenyl)prop-2-enamide
CID 9214408

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide (CID 56823427) is N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide is COc1ccccc1/C=C/CNCCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide?
The InChIKey is BJSBIEUZXGLYNE-SOFGYWHQSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-22-17-11-5-2-7-15(17)8-6-13-19-14-12-18(21)20-16-9-3-4-10-16/h2,5-8,11,16,19H,3-4,9-10,12-14H2,1H3,(H,20,21)/b8-6+.
What are the key properties of N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide?
N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide has a molecular weight of 302.42 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[[(E)-3-(2-methoxyphenyl)prop-2-enyl]amino]propanamide is sourced from PubChem (CID 56823427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).