(E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide

C14H17NO2 — CID 9210143

IUPAC(E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1/C=C/C(=O)NC1CC1
InChIInChI=1S/C14H17NO2/c1-10-3-7-13(17-2)11(9-10)4-8-14(16)15-12-5-6-12/h3-4,7-9,12H,5-6H2,1-2H3,(H,15,16)/b8-4+
InChIKeyAXQYQOBHCFPXCO-XBXARRHUSA-N
MW231.29 g/mol
LogP2.30
Rot. Bonds4

About (E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide

(E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide (PubChem CID 9210143) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide
PubChem CID9210143
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name(E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1/C=C/C(=O)NC1CC1
InChIInChI=1S/C14H17NO2/c1-10-3-7-13(17-2)11(9-10)4-8-14(16)15-12-5-6-12/h3-4,7-9,12H,5-6H2,1-2H3,(H,15,16)/b8-4+
InChIKeyAXQYQOBHCFPXCO-XBXARRHUSA-N
XLogP2.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.30
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

methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 54032355
(E)-N-cyclooctyl-3-(2,4,5-trimethoxyphenyl)prop-2-enamide
CID 26709178
(E)-N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 33160805
(E)-N-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 7668851
2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]acetic acid
CID 43241711
N-cyclopropyl-3-(3-fluoro-4-methoxyphenyl)prop-2-enamide
CID 78911756
N-[4-[1-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55591555
(E)-N-(1,1-dioxo-4-piperidin-1-ylthiolan-3-yl)-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 56520798
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
2-methoxy-3-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]propanoic acid
CID 106108090
(E)-3-(2-methoxy-5-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 9483464

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide (CID 9210143) is (E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide is COc1ccc(C)cc1/C=C/C(=O)NC1CC1.
What is the InChIKey of (E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The InChIKey is AXQYQOBHCFPXCO-XBXARRHUSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-3-7-13(17-2)11(9-10)4-8-14(16)15-12-5-6-12/h3-4,7-9,12H,5-6H2,1-2H3,(H,15,16)/b8-4+.
What are the key properties of (E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
(E)-N-cyclopropyl-3-(2-methoxy-5-methylphenyl)prop-2-enamide has a molecular weight of 231.29 g/mol, XLogP of 2.30, 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-(2-methoxy-5-methylphenyl)prop-2-enamide is sourced from PubChem (CID 9210143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).