2-imino-8-methoxy-N-[(4-methylphenyl)methyl]chromene-3-carboxamide

C19H18N2O3 — CID 19574051

IUPAC2-imino-8-methoxy-N-[(4-methylphenyl)methyl]chromene-3-carboxamide
SMILES[H]/N=c1\oc2c(OC)cccc2cc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C19H18N2O3/c1-12-6-8-13(9-7-12)11-21-19(22)15-10-14-4-3-5-16(23-2)17(14)24-18(15)20/h3-10,20H,11H2,1-2H3,(H,21,22)/b20-18-
InChIKeyQZCCXFIDQJFXCM-ZZEZOPTASA-N
MW322.36 g/mol
LogP3.16
Rot. Bonds4

About 2-imino-8-methoxy-N-[(4-methylphenyl)methyl]chromene-3-carboxamide

2-imino-8-methoxy-N-[(4-methylphenyl)methyl]chromene-3-carboxamide (PubChem CID 19574051) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-imino-8-methoxy-N-[(4-methylphenyl)methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-imino-8-methoxy-N-[(4-methylphenyl)methyl]chromene-3-carboxamide
PubChem CID19574051
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-imino-8-methoxy-N-[(4-methylphenyl)methyl]chromene-3-carboxamide
SMILES[H]/N=c1\oc2c(OC)cccc2cc1C(=O)NCc1ccc(C)cc1
InChIInChI=1S/C19H18N2O3/c1-12-6-8-13(9-7-12)11-21-19(22)15-10-14-4-3-5-16(23-2)17(14)24-18(15)20/h3-10,20H,11H2,1-2H3,(H,21,22)/b20-18-
InChIKeyQZCCXFIDQJFXCM-ZZEZOPTASA-N
XLogP3.16
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imino-8-methoxy-N-[(4-methylphenyl)methyl]chromene-3-carboxamide?
The IUPAC name of 2-imino-8-methoxy-N-[(4-methylphenyl)methyl]chromene-3-carboxamide (CID 19574051) is 2-imino-8-methoxy-N-[(4-methylphenyl)methyl]chromene-3-carboxamide.
What is the SMILES notation for 2-imino-8-methoxy-N-[(4-methylphenyl)methyl]chromene-3-carboxamide?
The canonical SMILES for 2-imino-8-methoxy-N-[(4-methylphenyl)methyl]chromene-3-carboxamide is [H]/N=c1\oc2c(OC)cccc2cc1C(=O)NCc1ccc(C)cc1.
What is the InChIKey of 2-imino-8-methoxy-N-[(4-methylphenyl)methyl]chromene-3-carboxamide?
The InChIKey is QZCCXFIDQJFXCM-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-6-8-13(9-7-12)11-21-19(22)15-10-14-4-3-5-16(23-2)17(14)24-18(15)20/h3-10,20H,11H2,1-2H3,(H,21,22)/b20-18-.
What are the key properties of 2-imino-8-methoxy-N-[(4-methylphenyl)methyl]chromene-3-carboxamide?
2-imino-8-methoxy-N-[(4-methylphenyl)methyl]chromene-3-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-8-methoxy-N-[(4-methylphenyl)methyl]chromene-3-carboxamide is sourced from PubChem (CID 19574051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).