2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

C23H32N2O4 — CID 4975043

IUPAC2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCc1cc(OC(C)C(=O)NC2CC(C)(C)NC(C)(C)C2)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C23H32N2O4/c1-13-8-17(20-14(2)10-19(26)29-18(20)9-13)28-15(3)21(27)24-16-11-22(4,5)25-23(6,7)12-16/h8-10,15-16,25H,11-12H2,1-7H3,(H,24,27)
InChIKeyACKDWBVCSKCWSD-UHFFFAOYSA-N
MW400.52 g/mol
LogP3.60
Rot. Bonds4

About 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (PubChem CID 4975043) has the molecular formula C23H32N2O4 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
PubChem CID4975043
Molecular FormulaC23H32N2O4
Molecular Weight400.52 g/mol
Exact Mass400.24
IUPAC Name2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCc1cc(OC(C)C(=O)NC2CC(C)(C)NC(C)(C)C2)c2c(C)cc(=O)oc2c1
InChIInChI=1S/C23H32N2O4/c1-13-8-17(20-14(2)10-19(26)29-18(20)9-13)28-15(3)21(27)24-16-11-22(4,5)25-23(6,7)12-16/h8-10,15-16,25H,11-12H2,1-7H3,(H,24,27)
InChIKeyACKDWBVCSKCWSD-UHFFFAOYSA-N
XLogP3.60
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 4903416
(2S)-2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 7583178
methyl (2R)-2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate
CID 969730
methyl 2-(4,7-dimethyl-2-oxochromen-5-yl)oxypropanoate
CID 2945654
(2R)-2-(2-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 1254093
2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 4974144
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 7380284
2-(2-bromo-4-chlorophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 42885093
2-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 113225451
4,7-dimethyl-5-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxychromen-2-one
CID 7643801
(2R)-2-(4-bromophenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
CID 1293555
4-ethyl-7-methyl-5-[(2S)-3-oxobutan-2-yl]oxychromen-2-one
CID 701525

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The IUPAC name of 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (CID 4975043) is 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is Cc1cc(OC(C)C(=O)NC2CC(C)(C)NC(C)(C)C2)c2c(C)cc(=O)oc2c1.
What is the InChIKey of 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The InChIKey is ACKDWBVCSKCWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4/c1-13-8-17(20-14(2)10-19(26)29-18(20)9-13)28-15(3)21(27)24-16-11-22(4,5)25-23(6,7)12-16/h8-10,15-16,25H,11-12H2,1-7H3,(H,24,27).
What are the key properties of 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide has a molecular weight of 400.52 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dimethyl-2-oxochromen-5-yl)oxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is sourced from PubChem (CID 4975043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).