2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide

C18H24N2O4 — CID 8906572

IUPAC2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1cc(=O)oc2cc(OC)ccc12
InChIInChI=1S/C18H24N2O4/c1-5-20(11-17(21)19-12(2)3)10-13-8-18(22)24-16-9-14(23-4)6-7-15(13)16/h6-9,12H,5,10-11H2,1-4H3,(H,19,21)
InChIKeyNZYZZFTZWBYRQC-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.15
Rot. Bonds7

About 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide (PubChem CID 8906572) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide
PubChem CID8906572
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)Cc1cc(=O)oc2cc(OC)ccc12
InChIInChI=1S/C18H24N2O4/c1-5-20(11-17(21)19-12(2)3)10-13-8-18(22)24-16-9-14(23-4)6-7-15(13)16/h6-9,12H,5,10-11H2,1-4H3,(H,19,21)
InChIKeyNZYZZFTZWBYRQC-UHFFFAOYSA-N
XLogP2.15
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.15
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

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-[(4-fluorophenyl)methyl]acetamide
CID 27201156
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27219969
2-[ethyl-[(7-hydroxy-2-oxochromen-4-yl)methyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9025576
N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride
CID 134111790
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
N-ethyl-2-[ethyl-[(7-ethyl-2-oxochromen-4-yl)methyl]amino]acetamide
CID 9433163
2-(7-methoxy-2-oxochromen-4-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 41180448
N-cyclopropyl-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9053292
N-(2-ethylphenyl)-2-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 9303635
2-[(5-bromo-2-methoxyphenyl)methyl-ethylamino]-N-propan-2-ylacetamide
CID 47117609
2-(7-methyl-2-oxochromen-4-yl)-N-propan-2-ylacetamide
CID 40805355

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide (CID 8906572) is 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)Cc1cc(=O)oc2cc(OC)ccc12.
What is the InChIKey of 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide?
The InChIKey is NZYZZFTZWBYRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-5-20(11-17(21)19-12(2)3)10-13-8-18(22)24-16-9-14(23-4)6-7-15(13)16/h6-9,12H,5,10-11H2,1-4H3,(H,19,21).
What are the key properties of 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide?
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide has a molecular weight of 332.40 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 8906572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).