2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide

C21H22N2O5 — CID 9025576

IUPAC2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)Cc1cc(=O)oc2cc(O)ccc12
InChIInChI=1S/C21H22N2O5/c1-3-23(13-20(25)22-15-5-4-6-17(10-15)27-2)12-14-9-21(26)28-19-11-16(24)7-8-18(14)19/h4-11,24H,3,12-13H2,1-2H3,(H,22,25)
InChIKeyHXPQBDOSKZLVPK-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.97
Rot. Bonds7

About 2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide

2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide (PubChem CID 9025576) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide
PubChem CID9025576
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)Cc1cc(=O)oc2cc(O)ccc12
InChIInChI=1S/C21H22N2O5/c1-3-23(13-20(25)22-15-5-4-6-17(10-15)27-2)12-14-9-21(26)28-19-11-16(24)7-8-18(14)19/h4-11,24H,3,12-13H2,1-2H3,(H,22,25)
InChIKeyHXPQBDOSKZLVPK-UHFFFAOYSA-N
XLogP2.97
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]acetamide
CID 9433203
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide
CID 8906572
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 7699419
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201156
methyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674332
N-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9252835
2-[[2-(3-bromoanilino)-2-oxoethyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 9026006
4-[[ethyl(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one
CID 60685720
2-[[(E)-3-chloroprop-2-enyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 78831827
ethyl 2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]acetate
CID 60674331
3-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62851901
N-(4-acetamidophenyl)-2-[ethyl-[(3-methoxyphenyl)methyl]amino]acetamide
CID 8779580

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide (CID 9025576) is 2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide is CCN(CC(=O)Nc1cccc(OC)c1)Cc1cc(=O)oc2cc(O)ccc12.
What is the InChIKey of 2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide?
The InChIKey is HXPQBDOSKZLVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-3-23(13-20(25)22-15-5-4-6-17(10-15)27-2)12-14-9-21(26)28-19-11-16(24)7-8-18(14)19/h4-11,24H,3,12-13H2,1-2H3,(H,22,25).
What are the key properties of 2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide?
2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide has a molecular weight of 382.42 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 9025576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).