2-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]acetamide

C18H28N2O — CID 115998787

IUPAC2-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]acetamide
SMILESCC1(C)CC(Nc2ccccc2CC(N)=O)CC(C)(C)C1
InChIInChI=1S/C18H28N2O/c1-17(2)10-14(11-18(3,4)12-17)20-15-8-6-5-7-13(15)9-16(19)21/h5-8,14,20H,9-12H2,1-4H3,(H2,19,21)
InChIKeyMCJQKNICRQVETF-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.73
Rot. Bonds4

About 2-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]acetamide

2-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]acetamide (PubChem CID 115998787) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]acetamide
PubChem CID115998787
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]acetamide
SMILESCC1(C)CC(Nc2ccccc2CC(N)=O)CC(C)(C)C1
InChIInChI=1S/C18H28N2O/c1-17(2)10-14(11-18(3,4)12-17)20-15-8-6-5-7-13(15)9-16(19)21/h5-8,14,20H,9-12H2,1-4H3,(H2,19,21)
InChIKeyMCJQKNICRQVETF-UHFFFAOYSA-N
XLogP3.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]acetamide
CID 115998763
methyl 2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzoate
CID 115998672
2-[2-(pyrrolidin-3-ylamino)phenyl]acetamide
CID 79731342
4-[2-(2-amino-2-oxoethyl)anilino]piperidine-1-carboxamide
CID 43789647
2-[2-[(3-cyclopropylcyclohexyl)amino]phenyl]acetamide
CID 64596435
2-[2-[[4-(trifluoromethyl)cyclohexyl]amino]phenyl]acetamide
CID 64754665
2-[2-[(1-propylpiperidin-4-yl)amino]phenyl]acetamide
CID 43738460
2-[2-(oxepan-4-ylamino)phenyl]acetamide
CID 65082099
N-[2-(2-amino-2-oxoethyl)phenyl]-4-ethylpiperidine-4-carboxamide
CID 63128122
2-propoxy-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 115998703
2-[2-(propylamino)phenyl]acetamide
CID 43738591
2-[2-(3,4-dihydro-1H-isothiochromen-4-ylamino)phenyl]acetamide
CID 43789658

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]acetamide?
The IUPAC name of 2-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]acetamide (CID 115998787) is 2-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]acetamide?
The canonical SMILES for 2-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]acetamide is CC1(C)CC(Nc2ccccc2CC(N)=O)CC(C)(C)C1.
What is the InChIKey of 2-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]acetamide?
The InChIKey is MCJQKNICRQVETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-17(2)10-14(11-18(3,4)12-17)20-15-8-6-5-7-13(15)9-16(19)21/h5-8,14,20H,9-12H2,1-4H3,(H2,19,21).
What are the key properties of 2-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]acetamide?
2-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]acetamide has a molecular weight of 288.44 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,3,5,5-tetramethylcyclohexyl)amino]phenyl]acetamide is sourced from PubChem (CID 115998787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).