3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide

C23H32N2O5 — CID 24642373

IUPAC3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)NCC3CN(CC(C)C)CCO3)c(=O)oc2c1
InChIInChI=1S/C23H32N2O5/c1-15(2)13-25-9-10-29-18(14-25)12-24-22(26)8-7-20-16(3)19-6-5-17(28-4)11-21(19)30-23(20)27/h5-6,11,15,18H,7-10,12-14H2,1-4H3,(H,24,26)
InChIKeyXBUAQKRGNOKOLI-UHFFFAOYSA-N
MW416.52 g/mol
LogP2.52
Rot. Bonds8

About 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide

3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide (PubChem CID 24642373) has the molecular formula C23H32N2O5 and a molecular weight of 416.52 g/mol. Its IUPAC name is 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
PubChem CID24642373
Molecular FormulaC23H32N2O5
Molecular Weight416.52 g/mol
Exact Mass416.23
IUPAC Name3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)NCC3CN(CC(C)C)CCO3)c(=O)oc2c1
InChIInChI=1S/C23H32N2O5/c1-15(2)13-25-9-10-29-18(14-25)12-24-22(26)8-7-20-16(3)19-6-5-17(28-4)11-21(19)30-23(20)27/h5-6,11,15,18H,7-10,12-14H2,1-4H3,(H,24,26)
InChIKeyXBUAQKRGNOKOLI-UHFFFAOYSA-N
XLogP2.52
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-3-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8511292
5-methoxy-3-methyl-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 8511285
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 71951013
7-methoxy-4-methyl-3-[3-(2-methylmorpholin-4-yl)-3-oxopropyl]chromen-2-one
CID 51296291
3-(4-methylphenyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 134032540
N-[[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 55839692
N-[(2R)-2-hydroxy-2,3-dimethylbutyl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 95783109
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4914211
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 35365201
2-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 42924141
2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55551459
7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one
CID 4914201

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide?
The IUPAC name of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide (CID 24642373) is 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide?
The canonical SMILES for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide is COc1ccc2c(C)c(CCC(=O)NCC3CN(CC(C)C)CCO3)c(=O)oc2c1.
What is the InChIKey of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide?
The InChIKey is XBUAQKRGNOKOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O5/c1-15(2)13-25-9-10-29-18(14-25)12-24-22(26)8-7-20-16(3)19-6-5-17(28-4)11-21(19)30-23(20)27/h5-6,11,15,18H,7-10,12-14H2,1-4H3,(H,24,26).
What are the key properties of 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide?
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide has a molecular weight of 416.52 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide is sourced from PubChem (CID 24642373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).