N-[4-[1-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]ethyl]phenyl]cyclopropanecarboxamide

C23H26N2O3 — CID 55591555

IUPACN-[4-[1-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCOc1ccc(C)cc1C=CC(=O)NC(C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H26N2O3/c1-15-4-12-21(28-3)19(14-15)9-13-22(26)24-16(2)17-7-10-20(11-8-17)25-23(27)18-5-6-18/h4,7-14,16,18H,5-6H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyQUEACRJFSODDPU-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.24
Rot. Bonds7

About N-[4-[1-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 55591555) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[4-[1-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]ethyl]phenyl]cyclopropanecarboxamide
PubChem CID55591555
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-[4-[1-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]ethyl]phenyl]cyclopropanecarboxamide
SMILESCOc1ccc(C)cc1C=CC(=O)NC(C)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C23H26N2O3/c1-15-4-12-21(28-3)19(14-15)9-13-22(26)24-16(2)17-7-10-20(11-8-17)25-23(27)18-5-6-18/h4,7-14,16,18H,5-6H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyQUEACRJFSODDPU-UHFFFAOYSA-N
XLogP4.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.24
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

N-[4-[1-[[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55591052
N-[4-[1-[[(E)-3-(3-fluoro-4-methoxyphenyl)prop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46402332
N-[4-[1-[[(E)-3-[2-(trifluoromethoxy)phenyl]prop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46468236
N-[4-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595068
N-[4-[1-[[(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55591842
(E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 9210143
(E)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 94019784
(E)-N-[1-(4-methylphenyl)ethyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 46772437
3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide
CID 46475324
(E)-N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 7668851
3-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]butanoic acid
CID 43242065
(E)-N-[1-(1-adamantyl)ethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 18227466

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]ethyl]phenyl]cyclopropanecarboxamide (CID 55591555) is N-[4-[1-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]ethyl]phenyl]cyclopropanecarboxamide is COc1ccc(C)cc1C=CC(=O)NC(C)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is QUEACRJFSODDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-15-4-12-21(28-3)19(14-15)9-13-22(26)24-16(2)17-7-10-20(11-8-17)25-23(27)18-5-6-18/h4,7-14,16,18H,5-6H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[1-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 55591555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).