2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3-hydroxypropyl)acetamide

C17H21NO6 — CID 4868951

IUPAC2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3-hydroxypropyl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)NCCCO)c(=O)oc2c1OC
InChIInChI=1S/C17H21NO6/c1-10-11-5-6-13(22-2)16(23-3)15(11)24-17(21)12(10)9-14(20)18-7-4-8-19/h5-6,19H,4,7-9H2,1-3H3,(H,18,20)
InChIKeyTWVZXTDCLIKEGE-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.16
Rot. Bonds7

About 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3-hydroxypropyl)acetamide

2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3-hydroxypropyl)acetamide (PubChem CID 4868951) has the molecular formula C17H21NO6 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3-hydroxypropyl)acetamide
PubChem CID4868951
Molecular FormulaC17H21NO6
Molecular Weight335.36 g/mol
Exact Mass335.14
IUPAC Name2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3-hydroxypropyl)acetamide
SMILESCOc1ccc2c(C)c(CC(=O)NCCCO)c(=O)oc2c1OC
InChIInChI=1S/C17H21NO6/c1-10-11-5-6-13(22-2)16(23-3)15(11)24-17(21)12(10)9-14(20)18-7-4-8-19/h5-6,19H,4,7-9H2,1-3H3,(H,18,20)
InChIKeyTWVZXTDCLIKEGE-UHFFFAOYSA-N
XLogP1.16
TPSA98.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-indol-1-ylethyl)acetamide
CID 56723679
2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 4964837
2-[[2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]benzamide
CID 4868879
2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]acetamide
CID 41025248
2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4974013
N-(2,3-dichlorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4871526
2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 75492066
N-[(4-chlorophenyl)methyl]-2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 4913962
2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 71692042
2-(3-benzyl-4,8-dimethyl-2-oxochromen-7-yl)oxy-N-(3-hydroxypropyl)acetamide
CID 4900576
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)acetamide
CID 6217000
N-(3-chloro-4-fluorophenyl)-2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 4973849

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3-hydroxypropyl)acetamide (CID 4868951) is 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3-hydroxypropyl)acetamide is COc1ccc2c(C)c(CC(=O)NCCCO)c(=O)oc2c1OC.
What is the InChIKey of 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3-hydroxypropyl)acetamide?
The InChIKey is TWVZXTDCLIKEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO6/c1-10-11-5-6-13(22-2)16(23-3)15(11)24-17(21)12(10)9-14(20)18-7-4-8-19/h5-6,19H,4,7-9H2,1-3H3,(H,18,20).
What are the key properties of 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3-hydroxypropyl)acetamide?
2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3-hydroxypropyl)acetamide has a molecular weight of 335.36 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dimethoxy-4-methyl-2-oxochromen-3-yl)-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 4868951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).