4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoate

C27H23N2O7- — CID 4078534

IUPAC4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoate
SMILESCCOc1cccc2cc(C(=O)Nc3ccc(OC)c(OC)c3)/c(=N/c3ccc(C(=O)[O-])cc3)oc12
InChIInChI=1S/C27H24N2O7/c1-4-35-22-7-5-6-17-14-20(25(30)28-19-12-13-21(33-2)23(15-19)34-3)26(36-24(17)22)29-18-10-8-16(9-11-18)27(31)32/h5-15H,4H2,1-3H3,(H,28,30)(H,31,32)/p-1/b29-26-
InChIKeyYSCYXSDOWPAEQS-WCTVFOPTSA-M
MW487.49 g/mol
LogP3.70
Rot. Bonds8

About 4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoate

4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoate (PubChem CID 4078534) has the molecular formula C27H23N2O7- and a molecular weight of 487.49 g/mol. Its IUPAC name is 4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoate.

Molecular Properties

Compound Name4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoate
PubChem CID4078534
Molecular FormulaC27H23N2O7-
Molecular Weight487.49 g/mol
Exact Mass487.15
IUPAC Name4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoate
SMILESCCOc1cccc2cc(C(=O)Nc3ccc(OC)c(OC)c3)/c(=N/c3ccc(C(=O)[O-])cc3)oc12
InChIInChI=1S/C27H24N2O7/c1-4-35-22-7-5-6-17-14-20(25(30)28-19-12-13-21(33-2)23(15-19)34-3)26(36-24(17)22)29-18-10-8-16(9-11-18)27(31)32/h5-15H,4H2,1-3H3,(H,28,30)(H,31,32)/p-1/b29-26-
InChIKeyYSCYXSDOWPAEQS-WCTVFOPTSA-M
XLogP3.70
TPSA122.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.49
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[3-[(2,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoic acid
CID 4078537
4-[[3-[(2-fluorophenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino]benzoate
CID 4068461
2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide
CID 15991604
4-[[3-[(3-chlorophenyl)methylcarbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoic acid
CID 4073080
2-(3,4-dimethylphenyl)imino-8-ethoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 4050935
[(Z)-[3-[(4-ethylphenyl)carbamoyl]-8-methoxychromen-2-ylidene]amino] acetate
CID 53338143
8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4227887
N-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide
CID 3885953
8-ethoxy-2-imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 19573973
2-(4-carbamoylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368024
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
2-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51367191

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoate?
The IUPAC name of 4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoate (CID 4078534) is 4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoate.
What is the SMILES notation for 4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoate?
The canonical SMILES for 4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoate is CCOc1cccc2cc(C(=O)Nc3ccc(OC)c(OC)c3)/c(=N/c3ccc(C(=O)[O-])cc3)oc12.
What is the InChIKey of 4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoate?
The InChIKey is YSCYXSDOWPAEQS-WCTVFOPTSA-M. The full InChI is InChI=1S/C27H24N2O7/c1-4-35-22-7-5-6-17-14-20(25(30)28-19-12-13-21(33-2)23(15-19)34-3)26(36-24(17)22)29-18-10-8-16(9-11-18)27(31)32/h5-15H,4H2,1-3H3,(H,28,30)(H,31,32)/p-1/b29-26-.
What are the key properties of 4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoate?
4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoate has a molecular weight of 487.49 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoate is sourced from PubChem (CID 4078534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).