methyl (E)-2-benzamido-3-[(2-oxobenzo[h]chromen-3-yl)amino]prop-2-enoate

C24H18N2O5 — CID 10093206

IUPACmethyl (E)-2-benzamido-3-[(2-oxobenzo[h]chromen-3-yl)amino]prop-2-enoate
SMILESCOC(=O)/C(=C\Nc1cc2ccc3ccccc3c2oc1=O)NC(=O)c1ccccc1
InChIInChI=1S/C24H18N2O5/c1-30-23(28)20(26-22(27)16-8-3-2-4-9-16)14-25-19-13-17-12-11-15-7-5-6-10-18(15)21(17)31-24(19)29/h2-14,25H,1H3,(H,26,27)/b20-14+
InChIKeyQZHCSUQTYWAPHN-XSFVSMFZSA-N
MW414.42 g/mol
LogP3.80
Rot. Bonds5

About methyl (E)-2-benzamido-3-[(2-oxobenzo[h]chromen-3-yl)amino]prop-2-enoate

methyl (E)-2-benzamido-3-[(2-oxobenzo[h]chromen-3-yl)amino]prop-2-enoate (PubChem CID 10093206) has the molecular formula C24H18N2O5 and a molecular weight of 414.42 g/mol. Its IUPAC name is methyl (E)-2-benzamido-3-[(2-oxobenzo[h]chromen-3-yl)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-benzamido-3-[(2-oxobenzo[h]chromen-3-yl)amino]prop-2-enoate
PubChem CID10093206
Molecular FormulaC24H18N2O5
Molecular Weight414.42 g/mol
Exact Mass414.12
IUPAC Namemethyl (E)-2-benzamido-3-[(2-oxobenzo[h]chromen-3-yl)amino]prop-2-enoate
SMILESCOC(=O)/C(=C\Nc1cc2ccc3ccccc3c2oc1=O)NC(=O)c1ccccc1
InChIInChI=1S/C24H18N2O5/c1-30-23(28)20(26-22(27)16-8-3-2-4-9-16)14-25-19-13-17-12-11-15-7-5-6-10-18(15)21(17)31-24(19)29/h2-14,25H,1H3,(H,26,27)/b20-14+
InChIKeyQZHCSUQTYWAPHN-XSFVSMFZSA-N
XLogP3.80
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-2-benzamido-3-(2-hydroxyanilino)prop-2-enoate
CID 14443750
methyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate
CID 10315660
methyl 3-(2-aminoanilino)-2-benzamidoprop-2-enoate
CID 1486062
5-bromo-N-(2-oxobenzo[h]chromen-3-yl)furan-2-carboxamide
CID 171977354
methyl 2-benzamido-4-methylpent-2-enoate
CID 71400450
methyl 2-benzamido-3-(5-methylfuran-2-yl)prop-2-enoate
CID 2874468
methyl (E)-2-benzamido-3-(N-phenylanilino)prop-2-enoate
CID 66987424
methyl (E)-2-benzamido-3-[(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)amino]prop-2-enoate
CID 147672290
dimethyl (2Z,4Z)-2-benzamido-5-phenacylhexa-2,4-dienedioate
CID 59187976
N-[(Z)-1-[(4,6-dimethylpyrimidin-2-yl)amino]-3-oxobut-1-en-2-yl]benzamide
CID 23247291
methyl (Z)-2-(naphthalene-1-carbonylamino)-3-phenylprop-2-enoate
CID 2179635
N-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide
CID 8797393

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-benzamido-3-[(2-oxobenzo[h]chromen-3-yl)amino]prop-2-enoate?
The IUPAC name of methyl (E)-2-benzamido-3-[(2-oxobenzo[h]chromen-3-yl)amino]prop-2-enoate (CID 10093206) is methyl (E)-2-benzamido-3-[(2-oxobenzo[h]chromen-3-yl)amino]prop-2-enoate.
What is the SMILES notation for methyl (E)-2-benzamido-3-[(2-oxobenzo[h]chromen-3-yl)amino]prop-2-enoate?
The canonical SMILES for methyl (E)-2-benzamido-3-[(2-oxobenzo[h]chromen-3-yl)amino]prop-2-enoate is COC(=O)/C(=C\Nc1cc2ccc3ccccc3c2oc1=O)NC(=O)c1ccccc1.
What is the InChIKey of methyl (E)-2-benzamido-3-[(2-oxobenzo[h]chromen-3-yl)amino]prop-2-enoate?
The InChIKey is QZHCSUQTYWAPHN-XSFVSMFZSA-N. The full InChI is InChI=1S/C24H18N2O5/c1-30-23(28)20(26-22(27)16-8-3-2-4-9-16)14-25-19-13-17-12-11-15-7-5-6-10-18(15)21(17)31-24(19)29/h2-14,25H,1H3,(H,26,27)/b20-14+.
What are the key properties of methyl (E)-2-benzamido-3-[(2-oxobenzo[h]chromen-3-yl)amino]prop-2-enoate?
methyl (E)-2-benzamido-3-[(2-oxobenzo[h]chromen-3-yl)amino]prop-2-enoate has a molecular weight of 414.42 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-benzamido-3-[(2-oxobenzo[h]chromen-3-yl)amino]prop-2-enoate is sourced from PubChem (CID 10093206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).