8-acetyl-N-[2-(dimethylamino)ethyl]-4-oxo-2-(2-propylmorpholin-4-yl)chromene-6-carboxamide

C23H31N3O5 — CID 123829839

IUPAC8-acetyl-N-[2-(dimethylamino)ethyl]-4-oxo-2-(2-propylmorpholin-4-yl)chromene-6-carboxamide
SMILESCCCC1CN(c2cc(=O)c3cc(C(=O)NCCN(C)C)cc(C(C)=O)c3o2)CCO1
InChIInChI=1S/C23H31N3O5/c1-5-6-17-14-26(9-10-30-17)21-13-20(28)19-12-16(23(29)24-7-8-25(3)4)11-18(15(2)27)22(19)31-21/h11-13,17H,5-10,14H2,1-4H3,(H,24,29)
InChIKeyYVADRJQVESNCDJ-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.29
Rot. Bonds8

About 8-acetyl-N-[2-(dimethylamino)ethyl]-4-oxo-2-(2-propylmorpholin-4-yl)chromene-6-carboxamide

8-acetyl-N-[2-(dimethylamino)ethyl]-4-oxo-2-(2-propylmorpholin-4-yl)chromene-6-carboxamide (PubChem CID 123829839) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is 8-acetyl-N-[2-(dimethylamino)ethyl]-4-oxo-2-(2-propylmorpholin-4-yl)chromene-6-carboxamide.

Molecular Properties

Compound Name8-acetyl-N-[2-(dimethylamino)ethyl]-4-oxo-2-(2-propylmorpholin-4-yl)chromene-6-carboxamide
PubChem CID123829839
Molecular FormulaC23H31N3O5
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC Name8-acetyl-N-[2-(dimethylamino)ethyl]-4-oxo-2-(2-propylmorpholin-4-yl)chromene-6-carboxamide
SMILESCCCC1CN(c2cc(=O)c3cc(C(=O)NCCN(C)C)cc(C(C)=O)c3o2)CCO1
InChIInChI=1S/C23H31N3O5/c1-5-6-17-14-26(9-10-30-17)21-13-20(28)19-12-16(23(29)24-7-8-25(3)4)11-18(15(2)27)22(19)31-21/h11-13,17H,5-10,14H2,1-4H3,(H,24,29)
InChIKeyYVADRJQVESNCDJ-UHFFFAOYSA-N
XLogP2.29
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(dimethylamino)ethyl]-8-(1-hydroxyethyl)-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 58235055
N-[2-(dimethylamino)ethyl]-8-[2-(4-fluoro-N-methylanilino)ethyl]-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 67194895
8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid
CID 58234981
8-acetyl-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide;8-[N-[(R)-tert-butylsulfinyl]-C-methylcarbonimidoyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 159079391
8-[(4,6-difluoro-2,3-dihydroindol-1-yl)methyl]-2-[(2S)-2-(methoxymethyl)morpholin-4-yl]-N,N-dimethyl-4-oxochromene-6-carboxamide
CID 164600836
8-(1-bromoethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide;8-(1-hydroxyethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide
CID 160543290
8-[1-(3,5-difluoroanilino)ethyl]-N,N-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide
CID 58235059
N-[4-oxo-4-[(2S)-2-propylmorpholin-4-yl]butyl]benzamide
CID 97064108
N-[2-(dimethylamino)ethyl]-3,4,5-triethoxybenzamide
CID 756601
3,4-difluoro-N-[2-(4-methylmorpholin-2-yl)ethyl]benzamide
CID 110709915
1-[2-bromo-4-(2-ethylmorpholin-4-yl)phenyl]ethanone
CID 114068612
3-methoxy-N-[2-(4-phenylmorpholin-2-yl)ethyl]benzamide
CID 110709827

Frequently Asked Questions

What is the IUPAC name of 8-acetyl-N-[2-(dimethylamino)ethyl]-4-oxo-2-(2-propylmorpholin-4-yl)chromene-6-carboxamide?
The IUPAC name of 8-acetyl-N-[2-(dimethylamino)ethyl]-4-oxo-2-(2-propylmorpholin-4-yl)chromene-6-carboxamide (CID 123829839) is 8-acetyl-N-[2-(dimethylamino)ethyl]-4-oxo-2-(2-propylmorpholin-4-yl)chromene-6-carboxamide.
What is the SMILES notation for 8-acetyl-N-[2-(dimethylamino)ethyl]-4-oxo-2-(2-propylmorpholin-4-yl)chromene-6-carboxamide?
The canonical SMILES for 8-acetyl-N-[2-(dimethylamino)ethyl]-4-oxo-2-(2-propylmorpholin-4-yl)chromene-6-carboxamide is CCCC1CN(c2cc(=O)c3cc(C(=O)NCCN(C)C)cc(C(C)=O)c3o2)CCO1.
What is the InChIKey of 8-acetyl-N-[2-(dimethylamino)ethyl]-4-oxo-2-(2-propylmorpholin-4-yl)chromene-6-carboxamide?
The InChIKey is YVADRJQVESNCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5/c1-5-6-17-14-26(9-10-30-17)21-13-20(28)19-12-16(23(29)24-7-8-25(3)4)11-18(15(2)27)22(19)31-21/h11-13,17H,5-10,14H2,1-4H3,(H,24,29).
What are the key properties of 8-acetyl-N-[2-(dimethylamino)ethyl]-4-oxo-2-(2-propylmorpholin-4-yl)chromene-6-carboxamide?
8-acetyl-N-[2-(dimethylamino)ethyl]-4-oxo-2-(2-propylmorpholin-4-yl)chromene-6-carboxamide has a molecular weight of 429.52 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetyl-N-[2-(dimethylamino)ethyl]-4-oxo-2-(2-propylmorpholin-4-yl)chromene-6-carboxamide is sourced from PubChem (CID 123829839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).