N-cyclopropyl-4-[(E)-3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxoprop-1-enyl]benzamide

C23H26N2O3 — CID 134048504

IUPACN-cyclopropyl-4-[(E)-3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxoprop-1-enyl]benzamide
SMILESCCOc1ccc(CN(C)C(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C23H26N2O3/c1-3-28-21-13-6-18(7-14-21)16-25(2)22(26)15-8-17-4-9-19(10-5-17)23(27)24-20-11-12-20/h4-10,13-15,20H,3,11-12,16H2,1-2H3,(H,24,27)/b15-8+
InChIKeyKSEIBUXQPKRPPH-OVCLIPMQSA-N
MW378.47 g/mol
LogP3.65
Rot. Bonds8

About N-cyclopropyl-4-[(E)-3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxoprop-1-enyl]benzamide

N-cyclopropyl-4-[(E)-3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxoprop-1-enyl]benzamide (PubChem CID 134048504) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-cyclopropyl-4-[(E)-3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(E)-3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxoprop-1-enyl]benzamide
PubChem CID134048504
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-cyclopropyl-4-[(E)-3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxoprop-1-enyl]benzamide
SMILESCCOc1ccc(CN(C)C(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)cc1
InChIInChI=1S/C23H26N2O3/c1-3-28-21-13-6-18(7-14-21)16-25(2)22(26)15-8-17-4-9-19(10-5-17)23(27)24-20-11-12-20/h4-10,13-15,20H,3,11-12,16H2,1-2H3,(H,24,27)/b15-8+
InChIKeyKSEIBUXQPKRPPH-OVCLIPMQSA-N
XLogP3.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.65
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

N-cyclopropyl-4-[(E)-3-[[4-(dimethylamino)phenyl]methyl-methylamino]-3-oxoprop-1-enyl]benzamide
CID 35746002
N-cyclopropyl-4-[(E)-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxoprop-1-enyl]benzamide
CID 39640138
N-cyclopropyl-4-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide
CID 31829368
ethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate
CID 169480970
2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-methylamino]acetic acid
CID 43092174
N-[(4-ethoxyphenyl)methyl]-N-methylbut-2-enamide
CID 78906847
(E)-N-[(4-ethoxyphenyl)methyl]-N-methyl-3-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 134011161
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2-(4-ethoxyphenyl)-N-methyl-1,3-dioxoisoindole-5-carboxamide
CID 46565896
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-ethoxy-4-methoxy-N-methylbenzamide
CID 38394612
4-[[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide
CID 8966743
(E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 28639843
N-cyclopropyl-4-[[cyclopropyl-[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]methyl]benzamide
CID 34178930

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(E)-3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(E)-3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxoprop-1-enyl]benzamide (CID 134048504) is N-cyclopropyl-4-[(E)-3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(E)-3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(E)-3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxoprop-1-enyl]benzamide is CCOc1ccc(CN(C)C(=O)/C=C/c2ccc(C(=O)NC3CC3)cc2)cc1.
What is the InChIKey of N-cyclopropyl-4-[(E)-3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxoprop-1-enyl]benzamide?
The InChIKey is KSEIBUXQPKRPPH-OVCLIPMQSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-3-28-21-13-6-18(7-14-21)16-25(2)22(26)15-8-17-4-9-19(10-5-17)23(27)24-20-11-12-20/h4-10,13-15,20H,3,11-12,16H2,1-2H3,(H,24,27)/b15-8+.
What are the key properties of N-cyclopropyl-4-[(E)-3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxoprop-1-enyl]benzamide?
N-cyclopropyl-4-[(E)-3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxoprop-1-enyl]benzamide has a molecular weight of 378.47 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(E)-3-[(4-ethoxyphenyl)methyl-methylamino]-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 134048504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).