2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide

C17H26N2O — CID 79796546

IUPAC2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide
SMILESCCC(C)(N)C(=O)NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-3-17(2,18)16(20)19-15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-8,14-15H,3,9-12,18H2,1-2H3,(H,19,20)
InChIKeyXKMHPASAMBNOLF-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.96
Rot. Bonds4

About 2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide

2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide (PubChem CID 79796546) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide
PubChem CID79796546
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide
SMILESCCC(C)(N)C(=O)NC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26N2O/c1-3-17(2,18)16(20)19-15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-8,14-15H,3,9-12,18H2,1-2H3,(H,19,20)
InChIKeyXKMHPASAMBNOLF-UHFFFAOYSA-N
XLogP2.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide
CID 64683408
2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 103617386
2-(aminomethyl)-N-(4-phenylcyclohexyl)pentanamide
CID 65225560
N,2,2-trimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 103917259
1-(4-phenylcyclohexyl)propan-1-one
CID 13042788
4-amino-N-(4-phenylcyclohexyl)butanamide
CID 43699336
cyclopropylbenzene;ethylhydrazine
CID 22346635
(2S)-2-amino-3-phenyl-N-(4-phenylcyclohexyl)propanamide
CID 119285391
1-(2-hydroxyethyl)-3-(4-phenylcyclohexyl)urea
CID 110894206
tert-butyl 2-[(4-phenylcyclohexyl)amino]acetate
CID 13312583
N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine
CID 19381411
2-(cyclohexylcarbamoyl)-2-ethylbutanoic acid;2-(2-methylphenyl)propan-2-amine
CID 173415896

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide?
The IUPAC name of 2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide (CID 79796546) is 2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide.
What is the SMILES notation for 2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide?
The canonical SMILES for 2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide is CCC(C)(N)C(=O)NC1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide?
The InChIKey is XKMHPASAMBNOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-17(2,18)16(20)19-15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-8,14-15H,3,9-12,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide?
2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide has a molecular weight of 274.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide is sourced from PubChem (CID 79796546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).