N-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carboxamide

C20H19NO3 — CID 122230000

IUPACN-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1NC(=O)C1(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H19NO3/c1-24-17-10-6-5-9-16(17)21-19(23)20(13-14-20)18(22)12-11-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,21,23)/b12-11+
InChIKeyDMMHFZNTXXJDNR-VAWYXSNFSA-N
MW321.38 g/mol
LogP3.70
Rot. Bonds6

About N-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carboxamide

N-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carboxamide (PubChem CID 122230000) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carboxamide
PubChem CID122230000
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC NameN-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1NC(=O)C1(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H19NO3/c1-24-17-10-6-5-9-16(17)21-19(23)20(13-14-20)18(22)12-11-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,21,23)/b12-11+
InChIKeyDMMHFZNTXXJDNR-VAWYXSNFSA-N
XLogP3.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyphenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903091
1-N-cyclopropyl-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108970708
1-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 108974347
[1-(2-methoxyanilino)-1-oxopropan-2-yl] 3-phenylprop-2-enoate
CID 3600561
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979794
1-N-(3-bromophenyl)-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108982976
1-N-[3-(dimethylamino)propyl]-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973832
1-N'-(2-methoxyphenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976705
1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 78994745
N-(2-methoxyphenyl)-1-[4-(3-methylphenyl)piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 108978773
1-N'-(2-ethoxyphenyl)-1-N-phenylcyclopropane-1,1-dicarboxamide
CID 108980570

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carboxamide (CID 122230000) is N-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carboxamide is COc1ccccc1NC(=O)C1(C(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carboxamide?
The InChIKey is DMMHFZNTXXJDNR-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H19NO3/c1-24-17-10-6-5-9-16(17)21-19(23)20(13-14-20)18(22)12-11-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3,(H,21,23)/b12-11+.
What are the key properties of N-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carboxamide?
N-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 122230000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).