N-[2,5-diethoxy-4-[(2-methylbenzoyl)amino]phenyl]-2H-chromene-3-carboxamide

C28H28N2O5 — CID 3192766

IUPACN-[2,5-diethoxy-4-[(2-methylbenzoyl)amino]phenyl]-2H-chromene-3-carboxamide
SMILESCCOc1cc(NC(=O)c2ccccc2C)c(OCC)cc1NC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C28H28N2O5/c1-4-33-25-16-23(30-28(32)21-12-8-6-10-18(21)3)26(34-5-2)15-22(25)29-27(31)20-14-19-11-7-9-13-24(19)35-17-20/h6-16H,4-5,17H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyXMEKEWDWZKUZQW-UHFFFAOYSA-N
MW472.54 g/mol
LogP5.46
Rot. Bonds8

About N-[2,5-diethoxy-4-[(2-methylbenzoyl)amino]phenyl]-2H-chromene-3-carboxamide

N-[2,5-diethoxy-4-[(2-methylbenzoyl)amino]phenyl]-2H-chromene-3-carboxamide (PubChem CID 3192766) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is N-[2,5-diethoxy-4-[(2-methylbenzoyl)amino]phenyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[2,5-diethoxy-4-[(2-methylbenzoyl)amino]phenyl]-2H-chromene-3-carboxamide
PubChem CID3192766
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC NameN-[2,5-diethoxy-4-[(2-methylbenzoyl)amino]phenyl]-2H-chromene-3-carboxamide
SMILESCCOc1cc(NC(=O)c2ccccc2C)c(OCC)cc1NC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C28H28N2O5/c1-4-33-25-16-23(30-28(32)21-12-8-6-10-18(21)3)26(34-5-2)15-22(25)29-27(31)20-14-19-11-7-9-13-24(19)35-17-20/h6-16H,4-5,17H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyXMEKEWDWZKUZQW-UHFFFAOYSA-N
XLogP5.46
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2,5-diethoxy-4-[(2-methylbenzoyl)amino]phenyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[2,5-diethoxy-4-[(2-methylbenzoyl)amino]phenyl]-2H-chromene-3-carboxamide (CID 3192766) is N-[2,5-diethoxy-4-[(2-methylbenzoyl)amino]phenyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[2,5-diethoxy-4-[(2-methylbenzoyl)amino]phenyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[2,5-diethoxy-4-[(2-methylbenzoyl)amino]phenyl]-2H-chromene-3-carboxamide is CCOc1cc(NC(=O)c2ccccc2C)c(OCC)cc1NC(=O)C1=Cc2ccccc2OC1.
What is the InChIKey of N-[2,5-diethoxy-4-[(2-methylbenzoyl)amino]phenyl]-2H-chromene-3-carboxamide?
The InChIKey is XMEKEWDWZKUZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-4-33-25-16-23(30-28(32)21-12-8-6-10-18(21)3)26(34-5-2)15-22(25)29-27(31)20-14-19-11-7-9-13-24(19)35-17-20/h6-16H,4-5,17H2,1-3H3,(H,29,31)(H,30,32).
What are the key properties of N-[2,5-diethoxy-4-[(2-methylbenzoyl)amino]phenyl]-2H-chromene-3-carboxamide?
N-[2,5-diethoxy-4-[(2-methylbenzoyl)amino]phenyl]-2H-chromene-3-carboxamide has a molecular weight of 472.54 g/mol, XLogP of 5.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-diethoxy-4-[(2-methylbenzoyl)amino]phenyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 3192766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).