8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide

C19H18N2O3 — CID 19288997

IUPAC8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2c(O)cccc2cc1C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C19H18N2O3/c1-10-7-11(2)16(12(3)8-10)21-19(23)14-9-13-5-4-6-15(22)17(13)24-18(14)20/h4-9,20,22H,1-3H3,(H,21,23)/b20-18-
InChIKeyROQJAODNBXDPKO-ZZEZOPTASA-N
MW322.36 g/mol
LogP3.80
Rot. Bonds2

About 8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide

8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide (PubChem CID 19288997) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide.

Molecular Properties

Compound Name8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide
PubChem CID19288997
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide
SMILES[H]/N=c1\oc2c(O)cccc2cc1C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C19H18N2O3/c1-10-7-11(2)16(12(3)8-10)21-19(23)14-9-13-5-4-6-15(22)17(13)24-18(14)20/h4-9,20,22H,1-3H3,(H,21,23)/b20-18-
InChIKeyROQJAODNBXDPKO-ZZEZOPTASA-N
XLogP3.80
TPSA86.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

8-hydroxy-N-(3-hydroxyphenyl)-2-iminochromene-3-carboxamide
CID 10402283
8-hydroxy-2-imino-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 19573969
N-(3,4-difluorophenyl)-8-hydroxy-2-iminochromene-3-carboxamide
CID 152560062
8-hydroxy-N-[4-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]butyl]-2-iminochromene-3-carboxamide
CID 46237292
methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 19572105
N-(2,5-dimethylphenyl)-8-ethoxy-2-iminochromene-3-carboxamide
CID 19573907
ethyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 17281894
methyl 5-ethyl-2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 19572236
8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide
CID 100794927
methyl 2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 19572131
methyl 5-(dimethylcarbamoyl)-2-[(8-hydroxy-2-iminochromene-3-carbonyl)amino]-4-methylthiophene-3-carboxylate
CID 17281910
2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid
CID 2249172

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide?
The IUPAC name of 8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide (CID 19288997) is 8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide.
What is the SMILES notation for 8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide?
The canonical SMILES for 8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide is [H]/N=c1\oc2c(O)cccc2cc1C(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide?
The InChIKey is ROQJAODNBXDPKO-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H18N2O3/c1-10-7-11(2)16(12(3)8-10)21-19(23)14-9-13-5-4-6-15(22)17(13)24-18(14)20/h4-9,20,22H,1-3H3,(H,21,23)/b20-18-.
What are the key properties of 8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide?
8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-2-imino-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide is sourced from PubChem (CID 19288997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).