3-(3-fluoro-4-methoxyphenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide

C16H20FNO3 — CID 77109122

IUPAC3-(3-fluoro-4-methoxyphenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide
SMILESCOc1ccc(C=CC(=O)N(C)CC2CC(O)C2)cc1F
InChIInChI=1S/C16H20FNO3/c1-18(10-12-7-13(19)8-12)16(20)6-4-11-3-5-15(21-2)14(17)9-11/h3-6,9,12-13,19H,7-8,10H2,1-2H3
InChIKeyAWAPNRCAMAUYSM-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.08
Rot. Bonds5

About 3-(3-fluoro-4-methoxyphenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide

3-(3-fluoro-4-methoxyphenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide (PubChem CID 77109122) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide
PubChem CID77109122
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide
SMILESCOc1ccc(C=CC(=O)N(C)CC2CC(O)C2)cc1F
InChIInChI=1S/C16H20FNO3/c1-18(10-12-7-13(19)8-12)16(20)6-4-11-3-5-15(21-2)14(17)9-11/h3-6,9,12-13,19H,7-8,10H2,1-2H3
InChIKeyAWAPNRCAMAUYSM-UHFFFAOYSA-N
XLogP2.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.08
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

3-(3-chloro-4-methylphenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide
CID 77109120
3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109873
(E)-N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide
CID 9426951
N-butan-2-yl-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide
CID 103597846
N-cyclopentyl-N-ethyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 103597835
(E)-N-[(2,4-dimethylphenyl)methyl]-3-(3-fluoro-4-methoxyphenyl)-N-methylprop-2-enamide
CID 9228072
N,N-bis(2-cyanoethyl)-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 103598565
(Z)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
CID 92855049
(E)-3-(3-fluoro-4-methoxyphenyl)-N-(3-hydroxypropyl)-N-propan-2-ylprop-2-enamide
CID 61039442
N-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 78911756
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]prop-2-enamide
CID 104927946
(E)-3-(3-fluoro-4-methoxyphenyl)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 62349302

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide (CID 77109122) is 3-(3-fluoro-4-methoxyphenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide is COc1ccc(C=CC(=O)N(C)CC2CC(O)C2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide?
The InChIKey is AWAPNRCAMAUYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-18(10-12-7-13(19)8-12)16(20)6-4-11-3-5-15(21-2)14(17)9-11/h3-6,9,12-13,19H,7-8,10H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide?
3-(3-fluoro-4-methoxyphenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide has a molecular weight of 293.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-N-[(3-hydroxycyclobutyl)methyl]-N-methylprop-2-enamide is sourced from PubChem (CID 77109122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).