(E)-3-(4-ethylphenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide

C21H19NO3 — CID 18272991

IUPAC(E)-3-(4-ethylphenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1
InChIInChI=1S/C21H19NO3/c1-3-15-4-6-16(7-5-15)8-11-20(23)22-17-9-10-18-14(2)12-21(24)25-19(18)13-17/h4-13H,3H2,1-2H3,(H,22,23)/b11-8+
InChIKeyYTPRCEIMAQPMAA-DHZHZOJOSA-N
MW333.39 g/mol
LogP4.32
Rot. Bonds4

About (E)-3-(4-ethylphenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide

(E)-3-(4-ethylphenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide (PubChem CID 18272991) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is (E)-3-(4-ethylphenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethylphenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide
PubChem CID18272991
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name(E)-3-(4-ethylphenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1
InChIInChI=1S/C21H19NO3/c1-3-15-4-6-16(7-5-15)8-11-20(23)22-17-9-10-18-14(2)12-21(24)25-19(18)13-17/h4-13H,3H2,1-2H3,(H,22,23)/b11-8+
InChIKeyYTPRCEIMAQPMAA-DHZHZOJOSA-N
XLogP4.32
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-(difluoromethoxy)phenyl]-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide
CID 26211838
7-ethyl-4-methylchromen-2-one
CID 5160585
N-(4-ethylphenyl)-4-(4-methyl-2-oxochromen-7-yl)benzamide
CID 154700876
azanide;butanedioic acid;dichloroplatinum(2+);(4-methyl-2-oxochromen-7-yl)carbamic acid
CID 170653162
N'-hydroxy-N-(4-methyl-2-oxochromen-7-yl)octanediamide
CID 53393956
2-amino-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 688482
(E)-N-(4-methyl-2-oxochromen-7-yl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 16594577
1-(4-methyl-2-oxochromen-7-yl)-3-nonylthiourea
CID 19651148
N-(4-methyl-2-oxochromen-7-yl)-2-naphthalen-2-ylacetamide
CID 26878478
2-(3,4-dimethoxyphenyl)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2166757
butyl N-(4-methyl-2-oxochromen-7-yl)carbamate
CID 3690863
N-(4-methyl-2-oxochromen-7-yl)-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 17488318

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethylphenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide?
The IUPAC name of (E)-3-(4-ethylphenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide (CID 18272991) is (E)-3-(4-ethylphenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethylphenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-ethylphenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide is CCc1ccc(/C=C/C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1.
What is the InChIKey of (E)-3-(4-ethylphenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide?
The InChIKey is YTPRCEIMAQPMAA-DHZHZOJOSA-N. The full InChI is InChI=1S/C21H19NO3/c1-3-15-4-6-16(7-5-15)8-11-20(23)22-17-9-10-18-14(2)12-21(24)25-19(18)13-17/h4-13H,3H2,1-2H3,(H,22,23)/b11-8+.
What are the key properties of (E)-3-(4-ethylphenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide?
(E)-3-(4-ethylphenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide has a molecular weight of 333.39 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethylphenyl)-N-(4-methyl-2-oxochromen-7-yl)prop-2-enamide is sourced from PubChem (CID 18272991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).