2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

C27H36N2O3 — CID 86881269

IUPAC2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1cccc(CN(CC(=O)N(C)C2CCCc3ccccc32)C2CCC(O)CC2)c1
InChIInChI=1S/C27H36N2O3/c1-28(26-12-6-9-21-8-3-4-11-25(21)26)27(31)19-29(22-13-15-23(30)16-14-22)18-20-7-5-10-24(17-20)32-2/h3-5,7-8,10-11,17,22-23,26,30H,6,9,12-16,18-19H2,1-2H3
InChIKeyDTOSNBQPOHAYFV-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.34
Rot. Bonds7

About 2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide

2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (PubChem CID 86881269) has the molecular formula C27H36N2O3 and a molecular weight of 436.60 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
PubChem CID86881269
Molecular FormulaC27H36N2O3
Molecular Weight436.60 g/mol
Exact Mass436.27
IUPAC Name2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
SMILESCOc1cccc(CN(CC(=O)N(C)C2CCCc3ccccc32)C2CCC(O)CC2)c1
InChIInChI=1S/C27H36N2O3/c1-28(26-12-6-9-21-8-3-4-11-25(21)26)27(31)19-29(22-13-15-23(30)16-14-22)18-20-7-5-10-24(17-20)32-2/h3-5,7-8,10-11,17,22-23,26,30H,6,9,12-16,18-19H2,1-2H3
InChIKeyDTOSNBQPOHAYFV-UHFFFAOYSA-N
XLogP4.34
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-[methyl-[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 8556099
N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide
CID 86885972
N-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide
CID 51133953
N-methyl-2-pyridin-3-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 96575672
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 52557701
2-(3-cyanophenoxy)-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9457337
N-cyclopropyl-2-[methyl-[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 8910380
N-cyclopropyl-2-hydroxy-4-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 112817478
4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol
CID 110929708
2-(2-methoxyethoxy)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 103601646
N-(2,6-dimethylphenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 9347975
2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 39815270

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide (CID 86881269) is 2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is COc1cccc(CN(CC(=O)N(C)C2CCCc3ccccc32)C2CCC(O)CC2)c1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
The InChIKey is DTOSNBQPOHAYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O3/c1-28(26-12-6-9-21-8-3-4-11-25(21)26)27(31)19-29(22-13-15-23(30)16-14-22)18-20-7-5-10-24(17-20)32-2/h3-5,7-8,10-11,17,22-23,26,30H,6,9,12-16,18-19H2,1-2H3.
What are the key properties of 2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide?
2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide has a molecular weight of 436.60 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide is sourced from PubChem (CID 86881269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).