trans-(1S,3S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide

C23H29NO3 — CID 91789090

IUPACtrans-(1S,3S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(CN(Cc2ccccc2C)C(=O)[C@H]2CCC[C@H](O)C2)cc1
InChIInChI=1S/C23H29NO3/c1-17-6-3-4-7-20(17)16-24(15-18-10-12-22(27-2)13-11-18)23(26)19-8-5-9-21(25)14-19/h3-4,6-7,10-13,19,21,25H,5,8-9,14-16H2,1-2H3/t19-,21-/m0/s1
InChIKeyJIGGYPDYFPBLQT-FPOVZHCZSA-N
MW367.49 g/mol
LogP4.08
Rot. Bonds6

About trans-(1S,3S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide

trans-(1S,3S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide (PubChem CID 91789090) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is trans-(1S,3S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,3S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
PubChem CID91789090
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Nametrans-(1S,3S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
SMILESCOc1ccc(CN(Cc2ccccc2C)C(=O)[C@H]2CCC[C@H](O)C2)cc1
InChIInChI=1S/C23H29NO3/c1-17-6-3-4-7-20(17)16-24(15-18-10-12-22(27-2)13-11-18)23(26)19-8-5-9-21(25)14-19/h3-4,6-7,10-13,19,21,25H,5,8-9,14-16H2,1-2H3/t19-,21-/m0/s1
InChIKeyJIGGYPDYFPBLQT-FPOVZHCZSA-N
XLogP4.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,3R)-3-hydroxy-N-(2-hydroxyethyl)-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide
CID 91773233
cis-(1S,3R)-3-hydroxy-N-[2-(4-methoxyphenyl)ethyl]-N-(pyridin-2-ylmethyl)cyclohexane-1-carboxamide
CID 91835660
cis-(1S,3R)-3-amino-N-[(4-fluorophenyl)methyl]-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 133113913
N-[(4-methoxyphenyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43926170
3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylcyclohexane-1-carboxamide
CID 119741679
trans-(1R,3R)-3-hydroxy-N-methyl-N-[(4-phenylphenyl)methyl]cyclohexane-1-carboxamide
CID 133267652
cis-(1S,3R)-N-[(2-fluorophenyl)methyl]-3-hydroxy-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 91774938
[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 55401274
3-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119737170
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-2-(2-methylphenyl)acetamide
CID 113055046
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-[2-(2-methylphenyl)acetyl]amino]propanamide
CID 132985805
N-[(4-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]oxane-4-carboxamide
CID 47000289

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of trans-(1S,3S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide (CID 91789090) is trans-(1S,3S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for trans-(1S,3S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for trans-(1S,3S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide is COc1ccc(CN(Cc2ccccc2C)C(=O)[C@H]2CCC[C@H](O)C2)cc1.
What is the InChIKey of trans-(1S,3S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide?
The InChIKey is JIGGYPDYFPBLQT-FPOVZHCZSA-N. The full InChI is InChI=1S/C23H29NO3/c1-17-6-3-4-7-20(17)16-24(15-18-10-12-22(27-2)13-11-18)23(26)19-8-5-9-21(25)14-19/h3-4,6-7,10-13,19,21,25H,5,8-9,14-16H2,1-2H3/t19-,21-/m0/s1.
What are the key properties of trans-(1S,3S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide?
trans-(1S,3S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-hydroxy-N-[(4-methoxyphenyl)methyl]-N-[(2-methylphenyl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 91789090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).