(E)-4-(4-methoxyphenyl)-N,N-dimethylbut-3-enamide

C13H17NO2 — CID 11424540

IUPAC(E)-4-(4-methoxyphenyl)-N,N-dimethylbut-3-enamide
SMILESCOc1ccc(/C=C/CC(=O)N(C)C)cc1
InChIInChI=1S/C13H17NO2/c1-14(2)13(15)6-4-5-11-7-9-12(16-3)10-8-11/h4-5,7-10H,6H2,1-3H3/b5-4+
InChIKeyQWUVVSUSDXJWEH-SNAWJCMRSA-N
MW219.28 g/mol
LogP2.19
Rot. Bonds4

About (E)-4-(4-methoxyphenyl)-N,N-dimethylbut-3-enamide

(E)-4-(4-methoxyphenyl)-N,N-dimethylbut-3-enamide (PubChem CID 11424540) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (E)-4-(4-methoxyphenyl)-N,N-dimethylbut-3-enamide.

Molecular Properties

Compound Name(E)-4-(4-methoxyphenyl)-N,N-dimethylbut-3-enamide
PubChem CID11424540
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(E)-4-(4-methoxyphenyl)-N,N-dimethylbut-3-enamide
SMILESCOc1ccc(/C=C/CC(=O)N(C)C)cc1
InChIInChI=1S/C13H17NO2/c1-14(2)13(15)6-4-5-11-7-9-12(16-3)10-8-11/h4-5,7-10H,6H2,1-3H3/b5-4+
InChIKeyQWUVVSUSDXJWEH-SNAWJCMRSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
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CID 135075727
(E)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 33256092
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
(E)-1-(4-methoxyphenyl)-2-methylidene-5-phenylpent-4-en-1-one
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ethyl N-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]carbamate
CID 134116743
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
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Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-methoxyphenyl)-N,N-dimethylbut-3-enamide?
The IUPAC name of (E)-4-(4-methoxyphenyl)-N,N-dimethylbut-3-enamide (CID 11424540) is (E)-4-(4-methoxyphenyl)-N,N-dimethylbut-3-enamide.
What is the SMILES notation for (E)-4-(4-methoxyphenyl)-N,N-dimethylbut-3-enamide?
The canonical SMILES for (E)-4-(4-methoxyphenyl)-N,N-dimethylbut-3-enamide is COc1ccc(/C=C/CC(=O)N(C)C)cc1.
What is the InChIKey of (E)-4-(4-methoxyphenyl)-N,N-dimethylbut-3-enamide?
The InChIKey is QWUVVSUSDXJWEH-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H17NO2/c1-14(2)13(15)6-4-5-11-7-9-12(16-3)10-8-11/h4-5,7-10H,6H2,1-3H3/b5-4+.
What are the key properties of (E)-4-(4-methoxyphenyl)-N,N-dimethylbut-3-enamide?
(E)-4-(4-methoxyphenyl)-N,N-dimethylbut-3-enamide has a molecular weight of 219.28 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-methoxyphenyl)-N,N-dimethylbut-3-enamide is sourced from PubChem (CID 11424540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).