2-imino-N-[1-(4-methylphenyl)ethyl]chromene-3-carboxamide

C19H18N2O2 — CID 19288940

IUPAC2-imino-N-[1-(4-methylphenyl)ethyl]chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccccc2cc1C(=O)NC(C)c1ccc(C)cc1
InChIInChI=1S/C19H18N2O2/c1-12-7-9-14(10-8-12)13(2)21-19(22)16-11-15-5-3-4-6-17(15)23-18(16)20/h3-11,13,20H,1-2H3,(H,21,22)/b20-18-
InChIKeyALEOLRGKWWOXLN-ZZEZOPTASA-N
MW306.37 g/mol
LogP3.71
Rot. Bonds3

About 2-imino-N-[1-(4-methylphenyl)ethyl]chromene-3-carboxamide

2-imino-N-[1-(4-methylphenyl)ethyl]chromene-3-carboxamide (PubChem CID 19288940) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-imino-N-[1-(4-methylphenyl)ethyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-imino-N-[1-(4-methylphenyl)ethyl]chromene-3-carboxamide
PubChem CID19288940
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-imino-N-[1-(4-methylphenyl)ethyl]chromene-3-carboxamide
SMILES[H]/N=c1\oc2ccccc2cc1C(=O)NC(C)c1ccc(C)cc1
InChIInChI=1S/C19H18N2O2/c1-12-7-9-14(10-8-12)13(2)21-19(22)16-11-15-5-3-4-6-17(15)23-18(16)20/h3-11,13,20H,1-2H3,(H,21,22)/b20-18-
InChIKeyALEOLRGKWWOXLN-ZZEZOPTASA-N
XLogP3.71
TPSA66.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(diethylamino)-2-imino-N-[(1S)-1-(4-methylphenyl)ethyl]chromene-3-carboxamide
CID 40621529
N-[1-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 4917419
methyl 2-iminochromene-3-carboxylate
CID 12862902
8-ethoxy-2-imino-N-[(1R)-1-phenylethyl]chromene-3-carboxamide
CID 40655174
N-[1-(4-ethylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 17326877
3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide
CID 28633409
2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide
CID 2970214
N-[1-(4-methylsulfonylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 51247110
N-[(1R)-1-(4-methylphenyl)propyl]-2-oxochromene-3-carboxamide
CID 9297376
3-(4-methylphenyl)chromen-2-imine
CID 10657405
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 30386627
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-oxochromene-3-carboxamide
CID 18143517

Frequently Asked Questions

What is the IUPAC name of 2-imino-N-[1-(4-methylphenyl)ethyl]chromene-3-carboxamide?
The IUPAC name of 2-imino-N-[1-(4-methylphenyl)ethyl]chromene-3-carboxamide (CID 19288940) is 2-imino-N-[1-(4-methylphenyl)ethyl]chromene-3-carboxamide.
What is the SMILES notation for 2-imino-N-[1-(4-methylphenyl)ethyl]chromene-3-carboxamide?
The canonical SMILES for 2-imino-N-[1-(4-methylphenyl)ethyl]chromene-3-carboxamide is [H]/N=c1\oc2ccccc2cc1C(=O)NC(C)c1ccc(C)cc1.
What is the InChIKey of 2-imino-N-[1-(4-methylphenyl)ethyl]chromene-3-carboxamide?
The InChIKey is ALEOLRGKWWOXLN-ZZEZOPTASA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12-7-9-14(10-8-12)13(2)21-19(22)16-11-15-5-3-4-6-17(15)23-18(16)20/h3-11,13,20H,1-2H3,(H,21,22)/b20-18-.
What are the key properties of 2-imino-N-[1-(4-methylphenyl)ethyl]chromene-3-carboxamide?
2-imino-N-[1-(4-methylphenyl)ethyl]chromene-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-[1-(4-methylphenyl)ethyl]chromene-3-carboxamide is sourced from PubChem (CID 19288940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).