N-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide

C19H18N2O4 — CID 22432408

IUPACN-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide
SMILESCCNc1c(NC(=O)c2ccccc2OC)c(=O)oc2ccccc12
InChIInChI=1S/C19H18N2O4/c1-3-20-16-12-8-4-7-11-15(12)25-19(23)17(16)21-18(22)13-9-5-6-10-14(13)24-2/h4-11,20H,3H2,1-2H3,(H,21,22)
InChIKeyUWPYTAHXGKVCJQ-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.49
Rot. Bonds5

About N-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide

N-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide (PubChem CID 22432408) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide
PubChem CID22432408
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide
SMILESCCNc1c(NC(=O)c2ccccc2OC)c(=O)oc2ccccc12
InChIInChI=1S/C19H18N2O4/c1-3-20-16-12-8-4-7-11-15(12)25-19(23)17(16)21-18(22)13-9-5-6-10-14(13)24-2/h4-11,20H,3H2,1-2H3,(H,21,22)
InChIKeyUWPYTAHXGKVCJQ-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
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-(2-methoxyphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 22433730
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea
CID 6471934
1-benzyl-3-[4-(ethylamino)-2-oxochromen-3-yl]urea
CID 50762055
1-[(2S)-butan-2-yl]-3-[4-(ethylamino)-2-oxochromen-3-yl]urea
CID 35396976
N-[4-(benzylamino)-2-oxochromen-3-yl]-3,4,5-trimethoxybenzamide
CID 17252005
N-[4-(benzylamino)-2-oxochromen-3-yl]-3,4-dimethoxybenzamide
CID 17252009
1-(2-methoxy-5-methylphenyl)-3-[2-oxo-4-(propylamino)chromen-3-yl]urea
CID 50762086
N-(3,4-dimethyl-2-oxochromen-6-yl)-2-methoxybenzamide;ethane
CID 144546170
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(3-methylsulfanylphenyl)urea
CID 35396970
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(oxolan-2-ylmethyl)urea
CID 50762128
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-(4-methyl-2-nitrophenyl)urea
CID 35396955

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide (CID 22432408) is N-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide is CCNc1c(NC(=O)c2ccccc2OC)c(=O)oc2ccccc12.
What is the InChIKey of N-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide?
The InChIKey is UWPYTAHXGKVCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-20-16-12-8-4-7-11-15(12)25-19(23)17(16)21-18(22)13-9-5-6-10-14(13)24-2/h4-11,20H,3H2,1-2H3,(H,21,22).
What are the key properties of N-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide?
N-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide has a molecular weight of 338.36 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)-2-oxochromen-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 22432408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).