2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide

C19H25ClN2O4 — CID 4901940

IUPAC2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)NCCCN(C)C)c(Cl)cc12
InChIInChI=1S/C19H25ClN2O4/c1-4-6-13-9-19(24)26-16-11-17(15(20)10-14(13)16)25-12-18(23)21-7-5-8-22(2)3/h9-11H,4-8,12H2,1-3H3,(H,21,23)
InChIKeySGICYYSGCKPGTR-UHFFFAOYSA-N
MW380.87 g/mol
LogP2.85
Rot. Bonds9

About 2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide

2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide (PubChem CID 4901940) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is 2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide.

Molecular Properties

Compound Name2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide
PubChem CID4901940
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC Name2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide
SMILESCCCc1cc(=O)oc2cc(OCC(=O)NCCCN(C)C)c(Cl)cc12
InChIInChI=1S/C19H25ClN2O4/c1-4-6-13-9-19(24)26-16-11-17(15(20)10-14(13)16)25-12-18(23)21-7-5-8-22(2)3/h9-11H,4-8,12H2,1-3H3,(H,21,23)
InChIKeySGICYYSGCKPGTR-UHFFFAOYSA-N
XLogP2.85
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide
CID 4910456
6-chloro-7-(3,3-dimethyl-2-oxobutoxy)-4-propylchromen-2-one
CID 886362
7-butoxy-6-chloro-4-propylchromen-2-one
CID 2222811
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-propylacetamide
CID 4823145
prop-2-enyl 2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxyacetate
CID 23963113
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-N-(3-ethoxypropyl)acetamide
CID 4793959
2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 4906252
(2R)-2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxypropanoic acid
CID 938033
4-butyl-6-chloro-7-[2-(4-fluorophenyl)-2-oxoethoxy]chromen-2-one
CID 2254928
2-(6-chloro-2-oxo-4-phenylchromen-7-yl)oxy-N-(3-hydroxypropyl)acetamide
CID 4911631
2-(6-chloro-4-ethyl-2-oxochromen-7-yl)oxy-N-(4-methylphenyl)acetamide
CID 2207766
6-chloro-7-(2-chloroprop-2-enoxy)-4-ethylchromen-2-one
CID 805749

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide?
The IUPAC name of 2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide (CID 4901940) is 2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide.
What is the SMILES notation for 2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide?
The canonical SMILES for 2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide is CCCc1cc(=O)oc2cc(OCC(=O)NCCCN(C)C)c(Cl)cc12.
What is the InChIKey of 2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide?
The InChIKey is SGICYYSGCKPGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O4/c1-4-6-13-9-19(24)26-16-11-17(15(20)10-14(13)16)25-12-18(23)21-7-5-8-22(2)3/h9-11H,4-8,12H2,1-3H3,(H,21,23).
What are the key properties of 2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide?
2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide has a molecular weight of 380.87 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-oxo-4-propylchromen-7-yl)oxy-N-[3-(dimethylamino)propyl]acetamide is sourced from PubChem (CID 4901940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).