N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide

C16H21NO3 — CID 146107018

IUPACN-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(OC)cc1OC1CCCC1
InChIInChI=1S/C16H21NO3/c1-3-16(18)17-11-12-8-9-14(19-2)10-15(12)20-13-6-4-5-7-13/h3,8-10,13H,1,4-7,11H2,2H3,(H,17,18)
InChIKeyQVXPEYOGRKQBMB-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.82
Rot. Bonds6

About N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide

N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide (PubChem CID 146107018) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide
PubChem CID146107018
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide
SMILESC=CC(=O)NCc1ccc(OC)cc1OC1CCCC1
InChIInChI=1S/C16H21NO3/c1-3-16(18)17-11-12-8-9-14(19-2)10-15(12)20-13-6-4-5-7-13/h3,8-10,13H,1,4-7,11H2,2H3,(H,17,18)
InChIKeyQVXPEYOGRKQBMB-UHFFFAOYSA-N
XLogP2.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(dimethylamino)but-2-enamide
CID 146101068
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119802521
1-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334428
4-[(2-cyclopentyloxy-4-methoxyphenyl)methylamino]-2,2-dimethyl-4-oxobutanoic acid
CID 119142062
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119334414
(2S)-2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119802569
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 146089817
2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylpropanamide
CID 120593283
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 119334399
N-[2-[[N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111989597
2-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-phenylacetamide;hydrochloride
CID 119334420
3-amino-N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-3-phenylpropanamide
CID 119952019

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide (CID 146107018) is N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide is C=CC(=O)NCc1ccc(OC)cc1OC1CCCC1.
What is the InChIKey of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide?
The InChIKey is QVXPEYOGRKQBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-16(18)17-11-12-8-9-14(19-2)10-15(12)20-13-6-4-5-7-13/h3,8-10,13H,1,4-7,11H2,2H3,(H,17,18).
What are the key properties of N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide?
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide has a molecular weight of 275.35 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 146107018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).