(E)-N-(1-hydroxybutan-2-yl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide

C16H23NO3 — CID 84558290

IUPAC(E)-N-(1-hydroxybutan-2-yl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
SMILESCCC(CO)NC(=O)/C=C/c1c(C)cc(OC)cc1C
InChIInChI=1S/C16H23NO3/c1-5-13(10-18)17-16(19)7-6-15-11(2)8-14(20-4)9-12(15)3/h6-9,13,18H,5,10H2,1-4H3,(H,17,19)/b7-6+
InChIKeyHUCBSUCFEFWXEQ-VOTSOKGWSA-N
MW277.36 g/mol
LogP2.21
Rot. Bonds6

About (E)-N-(1-hydroxybutan-2-yl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide

(E)-N-(1-hydroxybutan-2-yl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide (PubChem CID 84558290) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (E)-N-(1-hydroxybutan-2-yl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-hydroxybutan-2-yl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
PubChem CID84558290
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(E)-N-(1-hydroxybutan-2-yl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
SMILESCCC(CO)NC(=O)/C=C/c1c(C)cc(OC)cc1C
InChIInChI=1S/C16H23NO3/c1-5-13(10-18)17-16(19)7-6-15-11(2)8-14(20-4)9-12(15)3/h6-9,13,18H,5,10H2,1-4H3,(H,17,19)/b7-6+
InChIKeyHUCBSUCFEFWXEQ-VOTSOKGWSA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-propylprop-2-enamide
CID 84557751
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 84558392
(E)-N-(2-butan-2-ylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552099
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(2R)-1-hydroxybutan-2-yl]prop-2-enamide
CID 93041518
(E)-3-(3,5-dichlorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]prop-2-enamide
CID 113351938
(E)-N-[(2S)-1-hydroxybutan-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 104981086
(Z)-N-[(2R)-1-hydroxybutan-2-yl]-3-phenylprop-2-enamide
CID 92526114
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(3-propan-2-yloxypropyl)prop-2-enamide
CID 84557501
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide
CID 84557468
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[(2S)-1-hydroxybutan-2-yl]prop-2-enamide
CID 93041459
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-(2-phenylethyl)prop-2-enamide
CID 84557472
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
CID 43417959

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-hydroxybutan-2-yl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(1-hydroxybutan-2-yl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide (CID 84558290) is (E)-N-(1-hydroxybutan-2-yl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-hydroxybutan-2-yl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-hydroxybutan-2-yl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide is CCC(CO)NC(=O)/C=C/c1c(C)cc(OC)cc1C.
What is the InChIKey of (E)-N-(1-hydroxybutan-2-yl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide?
The InChIKey is HUCBSUCFEFWXEQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C16H23NO3/c1-5-13(10-18)17-16(19)7-6-15-11(2)8-14(20-4)9-12(15)3/h6-9,13,18H,5,10H2,1-4H3,(H,17,19)/b7-6+.
What are the key properties of (E)-N-(1-hydroxybutan-2-yl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide?
(E)-N-(1-hydroxybutan-2-yl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide has a molecular weight of 277.36 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-hydroxybutan-2-yl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 84558290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).