(E)-N-cyclopropyl-3-(4-methoxyphenyl)-2-methylbut-2-enamide

C15H19NO2 — CID 90678958

IUPAC(E)-N-cyclopropyl-3-(4-methoxyphenyl)-2-methylbut-2-enamide
SMILESCOc1ccc(/C(C)=C(\C)C(=O)NC2CC2)cc1
InChIInChI=1S/C15H19NO2/c1-10(11(2)15(17)16-13-6-7-13)12-4-8-14(18-3)9-5-12/h4-5,8-9,13H,6-7H2,1-3H3,(H,16,17)/b11-10+
InChIKeyNJCVMQUEWFSPQQ-ZHACJKMWSA-N
MW245.32 g/mol
LogP2.77
Rot. Bonds4

About (E)-N-cyclopropyl-3-(4-methoxyphenyl)-2-methylbut-2-enamide

(E)-N-cyclopropyl-3-(4-methoxyphenyl)-2-methylbut-2-enamide (PubChem CID 90678958) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-(4-methoxyphenyl)-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-(4-methoxyphenyl)-2-methylbut-2-enamide
PubChem CID90678958
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(E)-N-cyclopropyl-3-(4-methoxyphenyl)-2-methylbut-2-enamide
SMILESCOc1ccc(/C(C)=C(\C)C(=O)NC2CC2)cc1
InChIInChI=1S/C15H19NO2/c1-10(11(2)15(17)16-13-6-7-13)12-4-8-14(18-3)9-5-12/h4-5,8-9,13H,6-7H2,1-3H3,(H,16,17)/b11-10+
InChIKeyNJCVMQUEWFSPQQ-ZHACJKMWSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-(4-methoxyphenyl)-2-oxoacetamide
CID 11414317
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7507003
N-(4-cyanocyclohexyl)-4-methoxybenzamide
CID 115270168
(2R)-N-cyclopropyl-2-(4-methoxyphenoxy)propanamide
CID 7865701
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 4-methoxybenzoate
CID 7506979
[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879
N-(4-ethylcyclohexyl)-N'-(4-methoxyphenyl)oxamide
CID 124505093
N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methoxyphenyl)prop-2-enamide
CID 87568008
(E)-N-cyclopropyl-3-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-2-(4-methoxyphenyl)prop-2-enamide
CID 25266613
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788329
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-(4-methoxyphenyl)-2-methylbut-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-(4-methoxyphenyl)-2-methylbut-2-enamide (CID 90678958) is (E)-N-cyclopropyl-3-(4-methoxyphenyl)-2-methylbut-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-(4-methoxyphenyl)-2-methylbut-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-(4-methoxyphenyl)-2-methylbut-2-enamide is COc1ccc(/C(C)=C(\C)C(=O)NC2CC2)cc1.
What is the InChIKey of (E)-N-cyclopropyl-3-(4-methoxyphenyl)-2-methylbut-2-enamide?
The InChIKey is NJCVMQUEWFSPQQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(11(2)15(17)16-13-6-7-13)12-4-8-14(18-3)9-5-12/h4-5,8-9,13H,6-7H2,1-3H3,(H,16,17)/b11-10+.
What are the key properties of (E)-N-cyclopropyl-3-(4-methoxyphenyl)-2-methylbut-2-enamide?
(E)-N-cyclopropyl-3-(4-methoxyphenyl)-2-methylbut-2-enamide has a molecular weight of 245.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-(4-methoxyphenyl)-2-methylbut-2-enamide is sourced from PubChem (CID 90678958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).