2-[anilino(cyclohexyl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide

C22H36N2O2 — CID 101445044

IUPAC2-[anilino(cyclohexyl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide
SMILESCCC(C)(C(=O)NC(C)(C)CO)C(Nc1ccccc1)C1CCCCC1
InChIInChI=1S/C22H36N2O2/c1-5-22(4,20(26)24-21(2,3)16-25)19(17-12-8-6-9-13-17)23-18-14-10-7-11-15-18/h7,10-11,14-15,17,19,23,25H,5-6,8-9,12-13,16H2,1-4H3,(H,24,26)
InChIKeyAQBWVXPXQJGXTM-UHFFFAOYSA-N
MW360.54 g/mol
LogP4.35
Rot. Bonds8

About 2-[anilino(cyclohexyl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide

2-[anilino(cyclohexyl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide (PubChem CID 101445044) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is 2-[anilino(cyclohexyl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide.

Molecular Properties

Compound Name2-[anilino(cyclohexyl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide
PubChem CID101445044
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC Name2-[anilino(cyclohexyl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide
SMILESCCC(C)(C(=O)NC(C)(C)CO)C(Nc1ccccc1)C1CCCCC1
InChIInChI=1S/C22H36N2O2/c1-5-22(4,20(26)24-21(2,3)16-25)19(17-12-8-6-9-13-17)23-18-14-10-7-11-15-18/h7,10-11,14-15,17,19,23,25H,5-6,8-9,12-13,16H2,1-4H3,(H,24,26)
InChIKeyAQBWVXPXQJGXTM-UHFFFAOYSA-N
XLogP4.35
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclohexyl-2,2,2-trifluoroethyl)aniline
CID 11076093
2-anilino-2-cyclopentylethanol
CID 62071600
2-anilino-2-cyclohexylacetamide
CID 54889288
N-[(2S,3S)-3-cyclohexylpentan-2-yl]aniline
CID 166439055
2-[[cyclohexyl(phenyl)methyl]amino]-2-ethylpropane-1,3-diol
CID 107864962
1-cyclopentyl-N-phenylethane-1,2-diamine
CID 65380108
(2R,3S)-2-benzyl-3-cyclohexyl-3-hydroxy-N-phenylpropanamide
CID 166439076
(3R)-N-cyclohexyl-3-hydroxy-2,2-dimethyl-3-phenylpropanamide
CID 177440145
1-cyclohexyl-N,2-diethyl-2-phenylbutan-1-amine
CID 63417640
N-cyclohexyl-N'-phenyloxamide
CID 2271218
(2R)-2-cyclohexyl-3-[[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]amino]-3-oxopropanoic acid
CID 125156207
(2R)-N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-hydroxy-2-phenylacetamide
CID 99704166

Frequently Asked Questions

What is the IUPAC name of 2-[anilino(cyclohexyl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide?
The IUPAC name of 2-[anilino(cyclohexyl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide (CID 101445044) is 2-[anilino(cyclohexyl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide.
What is the SMILES notation for 2-[anilino(cyclohexyl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide?
The canonical SMILES for 2-[anilino(cyclohexyl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide is CCC(C)(C(=O)NC(C)(C)CO)C(Nc1ccccc1)C1CCCCC1.
What is the InChIKey of 2-[anilino(cyclohexyl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide?
The InChIKey is AQBWVXPXQJGXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-5-22(4,20(26)24-21(2,3)16-25)19(17-12-8-6-9-13-17)23-18-14-10-7-11-15-18/h7,10-11,14-15,17,19,23,25H,5-6,8-9,12-13,16H2,1-4H3,(H,24,26).
What are the key properties of 2-[anilino(cyclohexyl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide?
2-[anilino(cyclohexyl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide has a molecular weight of 360.54 g/mol, XLogP of 4.35, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[anilino(cyclohexyl)methyl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbutanamide is sourced from PubChem (CID 101445044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).