N-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide

C22H24N2O4 — CID 9303635

IUPACN-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)Cc1cc(=O)oc2cc(OC)ccc12
InChIInChI=1S/C22H24N2O4/c1-4-15-7-5-6-8-19(15)23-21(25)14-24(2)13-16-11-22(26)28-20-12-17(27-3)9-10-18(16)20/h5-12H,4,13-14H2,1-3H3,(H,23,25)
InChIKeyDJMGCCCOZIMPAI-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.43
Rot. Bonds7

About N-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide

N-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide (PubChem CID 9303635) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
PubChem CID9303635
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
SMILESCCc1ccccc1NC(=O)CN(C)Cc1cc(=O)oc2cc(OC)ccc12
InChIInChI=1S/C22H24N2O4/c1-4-15-7-5-6-8-19(15)23-21(25)14-24(2)13-16-11-22(26)28-20-12-17(27-3)9-10-18(16)20/h5-12H,4,13-14H2,1-3H3,(H,23,25)
InChIKeyDJMGCCCOZIMPAI-UHFFFAOYSA-N
XLogP3.43
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[4-[[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]methyl]-2-oxochromen-7-yl]carbamate
CID 55351227
N-(4-fluorophenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9252835
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27219969
N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9053292
7-methoxy-4-[[methyl(2-phenylethyl)amino]methyl]chromen-2-one
CID 11151459
7-methoxy-4-[[(3-methoxyphenyl)methyl-methylamino]methyl]chromen-2-one
CID 2690617
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
7-methoxy-4-[[(6-methoxynaphthalen-2-yl)methyl-methylamino]methyl]chromen-2-one
CID 9054180
N-(2-bromophenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 41402692
2-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(2,6-dichlorophenyl)acetamide
CID 55351320
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 7699419

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide (CID 9303635) is N-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide is CCc1ccccc1NC(=O)CN(C)Cc1cc(=O)oc2cc(OC)ccc12.
What is the InChIKey of N-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide?
The InChIKey is DJMGCCCOZIMPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-4-15-7-5-6-8-19(15)23-21(25)14-24(2)13-16-11-22(26)28-20-12-17(27-3)9-10-18(16)20/h5-12H,4,13-14H2,1-3H3,(H,23,25).
What are the key properties of N-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide?
N-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide has a molecular weight of 380.44 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 9303635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).