N-[2-[[(2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]benzamide

C26H34N2O2 — CID 129071075

IUPACN-[2-[[(2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]benzamide
SMILESCC1CC[C@@H](C(C)C)C(C(=O)NCC(NC(=O)c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C26H34N2O2/c1-18(2)22-15-14-19(3)16-23(22)26(30)27-17-24(20-10-6-4-7-11-20)28-25(29)21-12-8-5-9-13-21/h4-13,18-19,22-24H,14-17H2,1-3H3,(H,27,30)(H,28,29)/t19?,22-,23?,24?/m0/s1
InChIKeyLKGXWIGJXUHCIR-PPLUZJJNSA-N
MW406.57 g/mol
LogP4.98
Rot. Bonds7

About N-[2-[[(2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]benzamide

N-[2-[[(2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]benzamide (PubChem CID 129071075) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is N-[2-[[(2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]benzamide
PubChem CID129071075
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC NameN-[2-[[(2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]benzamide
SMILESCC1CC[C@@H](C(C)C)C(C(=O)NCC(NC(=O)c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C26H34N2O2/c1-18(2)22-15-14-19(3)16-23(22)26(30)27-17-24(20-10-6-4-7-11-20)28-25(29)21-12-8-5-9-13-21/h4-13,18-19,22-24H,14-17H2,1-3H3,(H,27,30)(H,28,29)/t19?,22-,23?,24?/m0/s1
InChIKeyLKGXWIGJXUHCIR-PPLUZJJNSA-N
XLogP4.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-[[(2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]benzamide with MolForge

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Related Compounds

(2S)-N-(2-acetamido-2-phenylethyl)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 129070902
[1-[[(1S)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]amino]-1-oxopropan-2-yl]carbamic acid
CID 126616754
tert-butyl N-[(1R)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]carbamate
CID 126629581
(2S)-N-[2-(hexadecanoylamino)-2-phenylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 129071076
N-[(2S)-2-hydroxy-2-phenylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 169225329
tert-butyl N-[2-[[(1S)-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]amino]-2-oxoethyl]carbamate
CID 126647652
5-methyl-N-phenacyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 66831556
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 21079958
N-benzyl-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;ethane
CID 91604695
(1R,2S,5R)-N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 59992313
(1R,2S,5R)-N-[2-[[2-amino-3-(1H-indol-3-yl)propanoyl]amino]-2-phenylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide;hydrochloride
CID 126617150
(2-amino-2-methylpropyl) 3-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-2-phenylpropanoate
CID 167121813

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]benzamide?
The IUPAC name of N-[2-[[(2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]benzamide (CID 129071075) is N-[2-[[(2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]benzamide.
What is the SMILES notation for N-[2-[[(2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]benzamide?
The canonical SMILES for N-[2-[[(2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]benzamide is CC1CC[C@@H](C(C)C)C(C(=O)NCC(NC(=O)c2ccccc2)c2ccccc2)C1.
What is the InChIKey of N-[2-[[(2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]benzamide?
The InChIKey is LKGXWIGJXUHCIR-PPLUZJJNSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-18(2)22-15-14-19(3)16-23(22)26(30)27-17-24(20-10-6-4-7-11-20)28-25(29)21-12-8-5-9-13-21/h4-13,18-19,22-24H,14-17H2,1-3H3,(H,27,30)(H,28,29)/t19?,22-,23?,24?/m0/s1.
What are the key properties of N-[2-[[(2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]benzamide?
N-[2-[[(2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]benzamide has a molecular weight of 406.57 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]-1-phenylethyl]benzamide is sourced from PubChem (CID 129071075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).