3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide

C18H22N2O4 — CID 18145814

IUPAC3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide
SMILESCCNC(=O)CNC(=O)CCc1c(C)c2ccc(C)cc2oc1=O
InChIInChI=1S/C18H22N2O4/c1-4-19-17(22)10-20-16(21)8-7-14-12(3)13-6-5-11(2)9-15(13)24-18(14)23/h5-6,9H,4,7-8,10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyKFMAYGKGUSEQBK-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.59
Rot. Bonds6

About 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide

3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide (PubChem CID 18145814) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide
PubChem CID18145814
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide
SMILESCCNC(=O)CNC(=O)CCc1c(C)c2ccc(C)cc2oc1=O
InChIInChI=1S/C18H22N2O4/c1-4-19-17(22)10-20-16(21)8-7-14-12(3)13-6-5-11(2)9-15(13)24-18(14)23/h5-6,9H,4,7-8,10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyKFMAYGKGUSEQBK-UHFFFAOYSA-N
XLogP1.59
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(7-hydroxy-4-methyl-2-oxochromen-3-yl)propanoylamino]acetic acid
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3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
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2-(7-amino-4-methyl-2-oxochromen-3-yl)-N-ethylacetamide
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N-[1-(3-chlorophenyl)ethyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
CID 24524850
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 24524842
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide (CID 18145814) is 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide is CCNC(=O)CNC(=O)CCc1c(C)c2ccc(C)cc2oc1=O.
What is the InChIKey of 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The InChIKey is KFMAYGKGUSEQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-4-19-17(22)10-20-16(21)8-7-14-12(3)13-6-5-11(2)9-15(13)24-18(14)23/h5-6,9H,4,7-8,10H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide?
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide has a molecular weight of 330.38 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 18145814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).