N-[4-(methylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide

C19H18N2O4 — CID 22433883

IUPACN-[4-(methylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCNc1c(NC(=O)COc2ccccc2C)c(=O)oc2ccccc12
InChIInChI=1S/C19H18N2O4/c1-12-7-3-5-9-14(12)24-11-16(22)21-18-17(20-2)13-8-4-6-10-15(13)25-19(18)23/h3-10,20H,11H2,1-2H3,(H,21,22)
InChIKeyHKOPRWFTANARIP-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.16
Rot. Bonds5

About N-[4-(methylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide

N-[4-(methylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide (PubChem CID 22433883) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[4-(methylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(methylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide
PubChem CID22433883
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[4-(methylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide
SMILESCNc1c(NC(=O)COc2ccccc2C)c(=O)oc2ccccc12
InChIInChI=1S/C19H18N2O4/c1-12-7-3-5-9-14(12)24-11-16(22)21-18-17(20-2)13-8-4-6-10-15(13)25-19(18)23/h3-10,20H,11H2,1-2H3,(H,21,22)
InChIKeyHKOPRWFTANARIP-UHFFFAOYSA-N
XLogP3.16
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(ethylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide
CID 22433885
1-[4-(methylamino)-2-oxochromen-3-yl]-3-(2-methylphenyl)urea
CID 39735085
3-[[2-(2-methylphenoxy)acetyl]amino]-N-(4-nitrophenyl)-1-benzofuran-2-carboxamide
CID 16814848
1-[4-(methylamino)-2-oxochromen-3-yl]-3-propylurea
CID 6471719
1-butan-2-yl-3-[4-(methylamino)-2-oxochromen-3-yl]urea
CID 50762048
N-(2-cyano-1-benzofuran-3-yl)-2-(2-fluorophenoxy)acetamide
CID 7560760
N-(2-methylnaphthalen-1-yl)-2-naphthalen-1-yloxyacetamide
CID 856175
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 3445970
1-(4-methoxyphenyl)-3-[4-(methylamino)-2-oxochromen-3-yl]urea
CID 6471218
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704893
N-(5,7-dimethyl-9-oxoxanthen-3-yl)-2-(2-methylphenoxy)acetamide
CID 23471935
N-(4-hydroxyphenyl)-2-(2-methylphenoxy)acetamide
CID 38113216

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[4-(methylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide (CID 22433883) is N-[4-(methylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[4-(methylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[4-(methylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide is CNc1c(NC(=O)COc2ccccc2C)c(=O)oc2ccccc12.
What is the InChIKey of N-[4-(methylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide?
The InChIKey is HKOPRWFTANARIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-12-7-3-5-9-14(12)24-11-16(22)21-18-17(20-2)13-8-4-6-10-15(13)25-19(18)23/h3-10,20H,11H2,1-2H3,(H,21,22).
What are the key properties of N-[4-(methylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide?
N-[4-(methylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide has a molecular weight of 338.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylamino)-2-oxochromen-3-yl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 22433883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).