8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide

C19H18N2O3 — CID 4227887

IUPAC8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(N)=O)/c(=N/c3cccc(C)c3)oc12
InChIInChI=1S/C19H18N2O3/c1-3-23-16-9-5-7-13-11-15(18(20)22)19(24-17(13)16)21-14-8-4-6-12(2)10-14/h4-11H,3H2,1-2H3,(H2,20,22)/b21-19-
InChIKeyCTFIGUDSNINOPK-VZCXRCSSSA-N
MW322.36 g/mol
LogP3.47
Rot. Bonds4

About 8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide

8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide (PubChem CID 4227887) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide.

Molecular Properties

Compound Name8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
PubChem CID4227887
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
SMILESCCOc1cccc2cc(C(N)=O)/c(=N/c3cccc(C)c3)oc12
InChIInChI=1S/C19H18N2O3/c1-3-23-16-9-5-7-13-11-15(18(20)22)19(24-17(13)16)21-14-8-4-6-12(2)10-14/h4-11H,3H2,1-2H3,(H2,20,22)/b21-19-
InChIKeyCTFIGUDSNINOPK-VZCXRCSSSA-N
XLogP3.47
TPSA77.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4038165
2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide
CID 15991604
methyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate
CID 51366960
6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4012007
2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide
CID 51366970
ethyl 8-ethoxy-2-oxochromene-3-carboxylate
CID 4084032
2-(3,4-dimethylphenyl)imino-8-ethoxy-N-(1,3-thiazol-2-yl)chromene-3-carboxamide
CID 4050935
4-[[3-[(3,4-dimethoxyphenyl)carbamoyl]-8-ethoxychromen-2-ylidene]amino]benzoate
CID 4078534
2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide
CID 51370461
3-acetyl-8-ethoxychromen-2-one
CID 3266617
2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide
CID 51366994
2-(4-chloro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide
CID 51366983

Frequently Asked Questions

What is the IUPAC name of 8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide?
The IUPAC name of 8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide (CID 4227887) is 8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide.
What is the SMILES notation for 8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide?
The canonical SMILES for 8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide is CCOc1cccc2cc(C(N)=O)/c(=N/c3cccc(C)c3)oc12.
What is the InChIKey of 8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide?
The InChIKey is CTFIGUDSNINOPK-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-23-16-9-5-7-13-11-15(18(20)22)19(24-17(13)16)21-14-8-4-6-12(2)10-14/h4-11H,3H2,1-2H3,(H2,20,22)/b21-19-.
What are the key properties of 8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide?
8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide is sourced from PubChem (CID 4227887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).