N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide

C19H18N2O4 — CID 17418033

IUPACN-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C19H18N2O4/c1-12(22)20-15-7-8-18(24-2)16(10-15)21-19(23)14-9-13-5-3-4-6-17(13)25-11-14/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNKFDPWOPOAHRLW-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.07
Rot. Bonds4

About N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide

N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide (PubChem CID 17418033) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide
PubChem CID17418033
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1=Cc2ccccc2OC1
InChIInChI=1S/C19H18N2O4/c1-12(22)20-15-7-8-18(24-2)16(10-15)21-19(23)14-9-13-5-3-4-6-17(13)25-11-14/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyNKFDPWOPOAHRLW-UHFFFAOYSA-N
XLogP3.07
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2H-chromene-3-carboxamide
CID 17416535
N-(4-acetamidophenyl)-2H-chromene-3-carboxamide
CID 7465016
N-(4-acetylphenyl)-2H-chromene-3-carboxamide
CID 9042646
methyl 2-(2H-chromene-3-carbonylamino)benzoate
CID 7464984
N-(5-acetamido-2-methoxyphenyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 51154942
N-(3,4-difluorophenyl)-2H-chromene-3-carboxamide
CID 26736929
N-(3-methylphenyl)-2H-chromene-3-carboxamide
CID 7464936
N-(2-ethoxyphenyl)-2H-chromene-3-carboxamide
CID 7464979
N-(5-chloro-2-methylphenyl)-2H-chromene-3-carboxamide
CID 7465015
methyl 2-[(6,7-dimethoxy-2H-chromene-3-carbonyl)amino]benzoate
CID 139932860
N-[4-(2-methylpropanoylamino)phenyl]-2H-chromene-3-carboxamide
CID 26782775
N-(2-methyl-1,3-benzothiazol-6-yl)-2H-chromene-3-carboxamide
CID 9046682

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide (CID 17418033) is N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)C1=Cc2ccccc2OC1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide?
The InChIKey is NKFDPWOPOAHRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12(22)20-15-7-8-18(24-2)16(10-15)21-19(23)14-9-13-5-3-4-6-17(13)25-11-14/h3-10H,11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide has a molecular weight of 338.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 17418033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).