N-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide

C20H20N2O3 — CID 19573907

IUPACN-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2c(OCC)cccc2cc1C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C20H20N2O3/c1-4-24-17-7-5-6-14-11-15(19(21)25-18(14)17)20(23)22-16-10-12(2)8-9-13(16)3/h5-11,21H,4H2,1-3H3,(H,22,23)/b21-19-
InChIKeyMVICBEZGUWKBAK-VZCXRCSSSA-N
MW336.39 g/mol
LogP4.18
Rot. Bonds4

About N-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide

N-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide (PubChem CID 19573907) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide
PubChem CID19573907
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide
SMILES[H]/N=c1\oc2c(OCC)cccc2cc1C(=O)Nc1cc(C)ccc1C
InChIInChI=1S/C20H20N2O3/c1-4-24-17-7-5-6-14-11-15(19(21)25-18(14)17)20(23)22-16-10-12(2)8-9-13(16)3/h5-11,21H,4H2,1-3H3,(H,22,23)/b21-19-
InChIKeyMVICBEZGUWKBAK-VZCXRCSSSA-N
XLogP4.18
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-ethoxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide
CID 19574031
8-ethoxy-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 19573961
8-ethoxy-2-imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 19573973
methyl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 17281923
8-ethoxy-2-imino-N-[(1R)-1-phenylethyl]chromene-3-carboxamide
CID 40655174
propan-2-yl 2-[(8-ethoxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 19289071
N-(2,5-dimethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 16896367
8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide
CID 19288997
8-ethoxy-N-(2-ethylphenyl)-2-oxochromene-3-carboxamide
CID 16645381
N-(2,3-dimethylphenyl)-7-ethoxy-1-benzofuran-2-carboxamide
CID 40888863
8-ethoxy-N-(2-fluorophenyl)-2-oxochromene-3-carboxamide
CID 6460214
ethyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 17281894

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide (CID 19573907) is N-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide is [H]/N=c1\oc2c(OCC)cccc2cc1C(=O)Nc1cc(C)ccc1C.
What is the InChIKey of N-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide?
The InChIKey is MVICBEZGUWKBAK-VZCXRCSSSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-4-24-17-7-5-6-14-11-15(19(21)25-18(14)17)20(23)22-16-10-12(2)8-9-13(16)3/h5-11,21H,4H2,1-3H3,(H,22,23)/b21-19-.
What are the key properties of N-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide?
N-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide is sourced from PubChem (CID 19573907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).