2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(3-methoxypropyl)acetamide

C19H26N2O4 — CID 51261102

IUPAC2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)Cc1cc(=O)oc2c(C)c(C)ccc12
InChIInChI=1S/C19H26N2O4/c1-13-6-7-16-15(10-18(23)25-19(16)14(13)2)11-21(3)12-17(22)20-8-5-9-24-4/h6-7,10H,5,8-9,11-12H2,1-4H3,(H,20,22)
InChIKeyYUOSBVUCSDTOLM-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.99
Rot. Bonds8

About 2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(3-methoxypropyl)acetamide

2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(3-methoxypropyl)acetamide (PubChem CID 51261102) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
PubChem CID51261102
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN(C)Cc1cc(=O)oc2c(C)c(C)ccc12
InChIInChI=1S/C19H26N2O4/c1-13-6-7-16-15(10-18(23)25-19(16)14(13)2)11-21(3)12-17(22)20-8-5-9-24-4/h6-7,10H,5,8-9,11-12H2,1-4H3,(H,20,22)
InChIKeyYUOSBVUCSDTOLM-UHFFFAOYSA-N
XLogP1.99
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.99
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

4-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-7,8-dimethylchromen-2-one
CID 8551444
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-methoxypropyl)acetamide
CID 51200052
2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 60508730
2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4818836
2-[(2,4-difluorophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 134001625
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 51227933
4-[[benzyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one
CID 943563
2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 47006314
4-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-7,8-dimethylchromen-2-one
CID 8891439
2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 71910467
N-[3-(dimethylamino)propyl]-2-(4,8-dimethyl-2-oxochromen-7-yl)oxyacetamide
CID 4903604
N-(2,6-dichlorophenyl)-2-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methylamino]acetamide
CID 27253817

Frequently Asked Questions

What is the IUPAC name of 2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(3-methoxypropyl)acetamide (CID 51261102) is 2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN(C)Cc1cc(=O)oc2c(C)c(C)ccc12.
What is the InChIKey of 2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(3-methoxypropyl)acetamide?
The InChIKey is YUOSBVUCSDTOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13-6-7-16-15(10-18(23)25-19(16)14(13)2)11-21(3)12-17(22)20-8-5-9-24-4/h6-7,10H,5,8-9,11-12H2,1-4H3,(H,20,22).
What are the key properties of 2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(3-methoxypropyl)acetamide?
2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(3-methoxypropyl)acetamide has a molecular weight of 346.43 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7,8-dimethyl-2-oxochromen-4-yl)methyl-methylamino]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 51261102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).