N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide

C23H27NO3 — CID 86949745

IUPACN-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NC3CCc4c(O)cccc43)CCCCC2)cc1
InChIInChI=1S/C23H27NO3/c1-27-17-10-8-16(9-11-17)23(14-3-2-4-15-23)22(26)24-20-13-12-19-18(20)6-5-7-21(19)25/h5-11,20,25H,2-4,12-15H2,1H3,(H,24,26)
InChIKeyCJSSPUSBDWJKJY-UHFFFAOYSA-N
MW365.47 g/mol
LogP4.41
Rot. Bonds4

About N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide

N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide (PubChem CID 86949745) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
PubChem CID86949745
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC NameN-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)NC3CCc4c(O)cccc43)CCCCC2)cc1
InChIInChI=1S/C23H27NO3/c1-27-17-10-8-16(9-11-17)23(14-3-2-4-15-23)22(26)24-20-13-12-19-18(20)6-5-7-21(19)25/h5-11,20,25H,2-4,12-15H2,1H3,(H,24,26)
InChIKeyCJSSPUSBDWJKJY-UHFFFAOYSA-N
XLogP4.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)cyclopentane-1-carboxamide
CID 138999843
1-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)cyclohexane-1-carboxamide
CID 119317483
N-cycloheptyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198451
1-cyano-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]cyclopentane-1-carboxamide
CID 95626540
N-cyclopentyl-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110485718
N-[(1R,2S)-2-aminocyclobutyl]-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 133128043
N-(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-1-phenylcyclopentane-1-carboxamide
CID 133166404
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
1-(4-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 53016794
1-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4R)-1-oxaspiro[5.5]undecan-4-yl]urea
CID 97235602
4-[[1-(4-methoxyphenyl)cyclopentanecarbonyl]amino]adamantane-1-carboxylic acid
CID 21099738
(2R)-N-[(1R)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methoxy-2-phenylacetamide
CID 99117467

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide (CID 86949745) is N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide is COc1ccc(C2(C(=O)NC3CCc4c(O)cccc43)CCCCC2)cc1.
What is the InChIKey of N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide?
The InChIKey is CJSSPUSBDWJKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-27-17-10-8-16(9-11-17)23(14-3-2-4-15-23)22(26)24-20-13-12-19-18(20)6-5-7-21(19)25/h5-11,20,25H,2-4,12-15H2,1H3,(H,24,26).
What are the key properties of N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide?
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide has a molecular weight of 365.47 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-1-(4-methoxyphenyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 86949745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).