N-(oxan-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetamide

C20H25NO5 — CID 171912972

IUPACN-(oxan-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetamide
SMILESCc1cc(OCC(=O)NCC2CCCOC2)c2c(C)c(C)c(=O)oc2c1
InChIInChI=1S/C20H25NO5/c1-12-7-16(19-13(2)14(3)20(23)26-17(19)8-12)25-11-18(22)21-9-15-5-4-6-24-10-15/h7-8,15H,4-6,9-11H2,1-3H3,(H,21,22)
InChIKeyKVUUSOQIXICKCS-UHFFFAOYSA-N
MW359.42 g/mol
LogP2.64
Rot. Bonds5

About N-(oxan-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetamide

N-(oxan-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetamide (PubChem CID 171912972) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is N-(oxan-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetamide.

Molecular Properties

Compound NameN-(oxan-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetamide
PubChem CID171912972
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC NameN-(oxan-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetamide
SMILESCc1cc(OCC(=O)NCC2CCCOC2)c2c(C)c(C)c(=O)oc2c1
InChIInChI=1S/C20H25NO5/c1-12-7-16(19-13(2)14(3)20(23)26-17(19)8-12)25-11-18(22)21-9-15-5-4-6-24-10-15/h7-8,15H,4-6,9-11H2,1-3H3,(H,21,22)
InChIKeyKVUUSOQIXICKCS-UHFFFAOYSA-N
XLogP2.64
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 52.64
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

3,4,7-trimethyl-5-[2-[(1S,5S)-9-methyl-3,9-diazabicyclo[3.3.2]decan-3-yl]-2-oxoethoxy]chromen-2-one
CID 171915967
3,4,7-trimethyl-5-[2-[(1R,2R,6S,8R)-4-oxa-10-azatricyclo[6.3.0.02,6]undecan-10-yl]-2-oxoethoxy]chromen-2-one
CID 171911624
2-(4-cyanophenoxy)-N-(oxan-3-ylmethyl)acetamide
CID 47314511
2-(4-aminophenoxy)-N-(oxan-3-ylmethyl)acetamide
CID 61138712
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]acetamide
CID 75465359
5-[2-[(1R,5S,6S)-6-hydroxy-3-azabicyclo[3.2.0]heptan-3-yl]-2-oxoethoxy]-3,4,7-trimethylchromen-2-one
CID 171910084
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-[[(3S)-oxan-3-yl]methyl]acetamide
CID 125175685
2-(4-ethyl-7-methyl-2-oxochromen-5-yl)oxy-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
CID 171916127
2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-[(4-methylphenyl)methyl]acetamide
CID 3724496
2-amino-4,5-dimethoxy-N-(oxan-3-ylmethyl)benzamide
CID 61140420
5-[2-(4-bromophenyl)-2-oxoethoxy]-3,4,7-trimethylchromen-2-one
CID 3710659
2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(3-morpholin-4-ylpropyl)acetamide
CID 4911782

Frequently Asked Questions

What is the IUPAC name of N-(oxan-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetamide?
The IUPAC name of N-(oxan-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetamide (CID 171912972) is N-(oxan-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetamide.
What is the SMILES notation for N-(oxan-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetamide?
The canonical SMILES for N-(oxan-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetamide is Cc1cc(OCC(=O)NCC2CCCOC2)c2c(C)c(C)c(=O)oc2c1.
What is the InChIKey of N-(oxan-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetamide?
The InChIKey is KVUUSOQIXICKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO5/c1-12-7-16(19-13(2)14(3)20(23)26-17(19)8-12)25-11-18(22)21-9-15-5-4-6-24-10-15/h7-8,15H,4-6,9-11H2,1-3H3,(H,21,22).
What are the key properties of N-(oxan-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetamide?
N-(oxan-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetamide has a molecular weight of 359.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-3-ylmethyl)-2-(3,4,7-trimethyl-2-oxochromen-5-yl)oxyacetamide is sourced from PubChem (CID 171912972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).