N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-2-methylphenyl]cyclopropanecarboxamide

C21H22N2O3 — CID 46761245

IUPACN-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-2-methylphenyl]cyclopropanecarboxamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)C3CC3)c2C)cc1
InChIInChI=1S/C21H22N2O3/c1-14-18(4-3-5-19(14)23-21(25)16-9-10-16)22-20(24)13-8-15-6-11-17(26-2)12-7-15/h3-8,11-13,16H,9-10H2,1-2H3,(H,22,24)(H,23,25)/b13-8+
InChIKeyMKMFYOARCYMMQV-MDWZMJQESA-N
MW350.42 g/mol
LogP4.00
Rot. Bonds6

About N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-2-methylphenyl]cyclopropanecarboxamide

N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-2-methylphenyl]cyclopropanecarboxamide (PubChem CID 46761245) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-2-methylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-2-methylphenyl]cyclopropanecarboxamide
PubChem CID46761245
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-2-methylphenyl]cyclopropanecarboxamide
SMILESCOc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)C3CC3)c2C)cc1
InChIInChI=1S/C21H22N2O3/c1-14-18(4-3-5-19(14)23-21(25)16-9-10-16)22-20(24)13-8-15-6-11-17(26-2)12-7-15/h3-8,11-13,16H,9-10H2,1-2H3,(H,22,24)(H,23,25)/b13-8+
InChIKeyMKMFYOARCYMMQV-MDWZMJQESA-N
XLogP4.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.00
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-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 668253
3-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
N-[3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]carbamothioylamino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761569
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
N-[[3-(cyclopropanecarbonylamino)-2-methylphenyl]carbamothioyl]-4-methoxybenzamide
CID 46761550
(E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 46485503
(Z)-N-[(2,3-dimethylphenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92949934
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
(E)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylphenyl)prop-2-enamide
CID 26520222
(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 707164
(E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 896961

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-2-methylphenyl]cyclopropanecarboxamide (CID 46761245) is N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-2-methylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-2-methylphenyl]cyclopropanecarboxamide is COc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)C3CC3)c2C)cc1.
What is the InChIKey of N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
The InChIKey is MKMFYOARCYMMQV-MDWZMJQESA-N. The full InChI is InChI=1S/C21H22N2O3/c1-14-18(4-3-5-19(14)23-21(25)16-9-10-16)22-20(24)13-8-15-6-11-17(26-2)12-7-15/h3-8,11-13,16H,9-10H2,1-2H3,(H,22,24)(H,23,25)/b13-8+.
What are the key properties of N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-2-methylphenyl]cyclopropanecarboxamide?
N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-2-methylphenyl]cyclopropanecarboxamide has a molecular weight of 350.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-2-methylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 46761245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).