N-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide

C26H36N2O3 — CID 51133953

IUPACN-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(Cc1cccc(OC)c1)C1CCC(O)CC1
InChIInChI=1S/C26H36N2O3/c1-4-20-9-7-10-21(5-2)26(20)27-25(30)18-28(22-12-14-23(29)15-13-22)17-19-8-6-11-24(16-19)31-3/h6-11,16,22-23,29H,4-5,12-15,17-18H2,1-3H3,(H,27,30)
InChIKeyRSEQMKHIQSRHQC-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.56
Rot. Bonds9

About N-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide

N-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide (PubChem CID 51133953) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide
PubChem CID51133953
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN(Cc1cccc(OC)c1)C1CCC(O)CC1
InChIInChI=1S/C26H36N2O3/c1-4-20-9-7-10-21(5-2)26(20)27-25(30)18-28(22-12-14-23(29)15-13-22)17-19-8-6-11-24(16-19)31-3/h6-11,16,22-23,29H,4-5,12-15,17-18H2,1-3H3,(H,27,30)
InChIKeyRSEQMKHIQSRHQC-UHFFFAOYSA-N
XLogP4.56
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide
CID 86885972
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(2,6-diethylphenyl)acetamide
CID 110892083
N'-(2,6-diethylphenyl)-N-[2-(3-methoxyphenyl)ethyl]propanediamide
CID 108948687
2-[(1,1-dioxothiolan-3-yl)-[(4-methoxyphenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 55446333
2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 86881269
N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 86908948
4-[(3-methoxyphenyl)methyl-[(1-methylpyrazol-4-yl)methyl]amino]cyclohexan-1-ol
CID 110929708
4-[(3-methoxyphenyl)methyl-(2-pyrazol-1-ylethyl)amino]cyclohexan-1-ol
CID 110929706
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840226
2-[(4-hydroxycyclohexyl)-[(3-hydroxyphenyl)methyl]amino]-N-prop-2-ynylacetamide
CID 154747579
4-[(4-methoxy-3-nitrophenyl)methyl-[(3-methoxyphenyl)methyl]amino]cyclohexan-1-ol
CID 86885959
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8769999

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide (CID 51133953) is N-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide is CCc1cccc(CC)c1NC(=O)CN(Cc1cccc(OC)c1)C1CCC(O)CC1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide?
The InChIKey is RSEQMKHIQSRHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-4-20-9-7-10-21(5-2)26(20)27-25(30)18-28(22-12-14-23(29)15-13-22)17-19-8-6-11-24(16-19)31-3/h6-11,16,22-23,29H,4-5,12-15,17-18H2,1-3H3,(H,27,30).
What are the key properties of N-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide?
N-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide has a molecular weight of 424.59 g/mol, XLogP of 4.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[(4-hydroxycyclohexyl)-[(3-methoxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 51133953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).