2-[cyclopentyl(prop-2-enyl)amino]-N-[(2-methylphenyl)methyl]acetamide

C18H26N2O — CID 47057266

IUPAC2-[cyclopentyl(prop-2-enyl)amino]-N-[(2-methylphenyl)methyl]acetamide
SMILESC=CCN(CC(=O)NCc1ccccc1C)C1CCCC1
InChIInChI=1S/C18H26N2O/c1-3-12-20(17-10-6-7-11-17)14-18(21)19-13-16-9-5-4-8-15(16)2/h3-5,8-9,17H,1,6-7,10-14H2,2H3,(H,19,21)
InChIKeyAKOSFCAFIHYHDP-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.04
Rot. Bonds7

About 2-[cyclopentyl(prop-2-enyl)amino]-N-[(2-methylphenyl)methyl]acetamide

2-[cyclopentyl(prop-2-enyl)amino]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 47057266) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[cyclopentyl(prop-2-enyl)amino]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[cyclopentyl(prop-2-enyl)amino]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID47057266
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-[cyclopentyl(prop-2-enyl)amino]-N-[(2-methylphenyl)methyl]acetamide
SMILESC=CCN(CC(=O)NCc1ccccc1C)C1CCCC1
InChIInChI=1S/C18H26N2O/c1-3-12-20(17-10-6-7-11-17)14-18(21)19-13-16-9-5-4-8-15(16)2/h3-5,8-9,17H,1,6-7,10-14H2,2H3,(H,19,21)
InChIKeyAKOSFCAFIHYHDP-UHFFFAOYSA-N
XLogP3.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.04
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

2-[cyclohexyl(methyl)amino]-N-[(2-methylphenyl)methyl]acetamide
CID 51224648
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 8906703
2-[[(3S)-1,1-dioxothiolan-3-yl]-prop-2-enylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 95132352
2-[cyclopentyl(prop-2-enyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 47057264
2-[cyclopentyl(ethyl)amino]-N-[[2-(propoxymethyl)phenyl]methyl]acetamide
CID 87017404
2-[cyclohexyl(2-hydroxypropyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 110923577
2-[acetyl(prop-2-enyl)amino]-N-[(2-fluorophenyl)methyl]acetamide
CID 113158508
N-[(2-methylphenyl)methyl]prop-2-enamide
CID 43616523
2-amino-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
CID 61108767
2-bromo-N-cyclopentyl-3-methyl-N-prop-2-enylbenzamide
CID 103853497
N-[2-[acetyl(cyclohexyl)amino]ethyl]-2-(2-methylphenyl)acetamide
CID 113052961
N-ethyl-2-[ethyl-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]acetamide
CID 40700700

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(prop-2-enyl)amino]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[cyclopentyl(prop-2-enyl)amino]-N-[(2-methylphenyl)methyl]acetamide (CID 47057266) is 2-[cyclopentyl(prop-2-enyl)amino]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[cyclopentyl(prop-2-enyl)amino]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[cyclopentyl(prop-2-enyl)amino]-N-[(2-methylphenyl)methyl]acetamide is C=CCN(CC(=O)NCc1ccccc1C)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl(prop-2-enyl)amino]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is AKOSFCAFIHYHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-12-20(17-10-6-7-11-17)14-18(21)19-13-16-9-5-4-8-15(16)2/h3-5,8-9,17H,1,6-7,10-14H2,2H3,(H,19,21).
What are the key properties of 2-[cyclopentyl(prop-2-enyl)amino]-N-[(2-methylphenyl)methyl]acetamide?
2-[cyclopentyl(prop-2-enyl)amino]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 286.42 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(prop-2-enyl)amino]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 47057266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).