2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

C25H30N2O5 — CID 155486631

IUPAC2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)CC3(c4oc(C)cc(=O)c4O)CCCCC3)c2c1
InChIInChI=1S/C25H30N2O5/c1-16-12-21(28)23(30)24(32-16)25(9-4-3-5-10-25)14-22(29)26-11-8-17-15-27-20-7-6-18(31-2)13-19(17)20/h6-7,12-13,15,27,30H,3-5,8-11,14H2,1-2H3,(H,26,29)
InChIKeyMOYHDPFQQSMJAL-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.09
Rot. Bonds7

About 2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (PubChem CID 155486631) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is 2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
PubChem CID155486631
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)CC3(c4oc(C)cc(=O)c4O)CCCCC3)c2c1
InChIInChI=1S/C25H30N2O5/c1-16-12-21(28)23(30)24(32-16)25(9-4-3-5-10-25)14-22(29)26-11-8-17-15-27-20-7-6-18(31-2)13-19(17)20/h6-7,12-13,15,27,30H,3-5,8-11,14H2,1-2H3,(H,26,29)
InChIKeyMOYHDPFQQSMJAL-UHFFFAOYSA-N
XLogP4.09
TPSA104.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
3-cyclopentyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 18947319
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[(6-methyl-4-oxo-1H-pyridin-3-yl)oxy]acetamide
CID 71826977
2-(7-hydroxy-4,8-dimethyl-2-oxochromen-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 8016363
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
(3S)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 125122527
4-amino-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]butanamide
CID 26652
N-(4-bromophenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxamide
CID 177382643
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-methylsulfonylpropanamide
CID 131951038
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-oxo-2-propan-2-yl-2-azaspiro[3.4]octane-1-carboxamide
CID 91925467
(4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 24749698

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide (CID 155486631) is 2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is COc1ccc2[nH]cc(CCNC(=O)CC3(c4oc(C)cc(=O)c4O)CCCCC3)c2c1.
What is the InChIKey of 2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
The InChIKey is MOYHDPFQQSMJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-16-12-21(28)23(30)24(32-16)25(9-4-3-5-10-25)14-22(29)26-11-8-17-15-27-20-7-6-18(31-2)13-19(17)20/h6-7,12-13,15,27,30H,3-5,8-11,14H2,1-2H3,(H,26,29).
What are the key properties of 2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide?
2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide has a molecular weight of 438.52 g/mol, XLogP of 4.09, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-hydroxy-6-methyl-4-oxopyran-2-yl)cyclohexyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 155486631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).