N-(2,3-dimethylphenyl)-2-imino-6-methoxychromene-3-carboxamide

C19H18N2O3 — CID 839714

IUPACN-(2,3-dimethylphenyl)-2-imino-6-methoxychromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(OC)cc2cc1C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C19H18N2O3/c1-11-5-4-6-16(12(11)2)21-19(22)15-10-13-9-14(23-3)7-8-17(13)24-18(15)20/h4-10,20H,1-3H3,(H,21,22)/b20-18-
InChIKeyXDAVMTSDKUXLCA-ZZEZOPTASA-N
MW322.36 g/mol
LogP3.79
Rot. Bonds3

About N-(2,3-dimethylphenyl)-2-imino-6-methoxychromene-3-carboxamide

N-(2,3-dimethylphenyl)-2-imino-6-methoxychromene-3-carboxamide (PubChem CID 839714) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-imino-6-methoxychromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-imino-6-methoxychromene-3-carboxamide
PubChem CID839714
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(2,3-dimethylphenyl)-2-imino-6-methoxychromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(OC)cc2cc1C(=O)Nc1cccc(C)c1C
InChIInChI=1S/C19H18N2O3/c1-11-5-4-6-16(12(11)2)21-19(22)15-10-13-9-14(23-3)7-8-17(13)24-18(15)20/h4-10,20H,1-3H3,(H,21,22)/b20-18-
InChIKeyXDAVMTSDKUXLCA-ZZEZOPTASA-N
XLogP3.79
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-imino-6-methoxychromene-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-imino-6-methoxychromene-3-carboxamide (CID 839714) is N-(2,3-dimethylphenyl)-2-imino-6-methoxychromene-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-imino-6-methoxychromene-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-imino-6-methoxychromene-3-carboxamide is [H]/N=c1\oc2ccc(OC)cc2cc1C(=O)Nc1cccc(C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-imino-6-methoxychromene-3-carboxamide?
The InChIKey is XDAVMTSDKUXLCA-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H18N2O3/c1-11-5-4-6-16(12(11)2)21-19(22)15-10-13-9-14(23-3)7-8-17(13)24-18(15)20/h4-10,20H,1-3H3,(H,21,22)/b20-18-.
What are the key properties of N-(2,3-dimethylphenyl)-2-imino-6-methoxychromene-3-carboxamide?
N-(2,3-dimethylphenyl)-2-imino-6-methoxychromene-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-imino-6-methoxychromene-3-carboxamide is sourced from PubChem (CID 839714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).