2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide

C17H26N2O — CID 103617386

IUPAC2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
SMILESCC(C)(CNC1CCC(c2ccccc2)CC1)C(N)=O
InChIInChI=1S/C17H26N2O/c1-17(2,16(18)20)12-19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-7,14-15,19H,8-12H2,1-2H3,(H2,18,20)
InChIKeyDEUQOOKHBNNROX-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.81
Rot. Bonds5

About 2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide

2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide (PubChem CID 103617386) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
PubChem CID103617386
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
SMILESCC(C)(CNC1CCC(c2ccccc2)CC1)C(N)=O
InChIInChI=1S/C17H26N2O/c1-17(2,16(18)20)12-19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-7,14-15,19H,8-12H2,1-2H3,(H2,18,20)
InChIKeyDEUQOOKHBNNROX-UHFFFAOYSA-N
XLogP2.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N,2,2-trimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 103917259
N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine
CID 19381411
3-(cyclopentylamino)-2,2-dimethylpropanamide
CID 103617377
2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol
CID 103783342
2-[(4-phenylcyclohexyl)amino]ethylurea
CID 83111311
tert-butyl 2-[(4-phenylcyclohexyl)amino]acetate
CID 13312583
3-[[3-(3-bromophenyl)cyclobutyl]amino]-2,2-dimethylpropanamide
CID 106704288
2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide
CID 79796546
3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide
CID 64683408
3-[(4-methoxycyclohexyl)amino]-2,2-dimethylpropanamide
CID 104530552
2,2-dimethyl-3-[(4-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 103917146
3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol
CID 115720405

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide?
The IUPAC name of 2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide (CID 103617386) is 2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide is CC(C)(CNC1CCC(c2ccccc2)CC1)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide?
The InChIKey is DEUQOOKHBNNROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-17(2,16(18)20)12-19-15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-7,14-15,19H,8-12H2,1-2H3,(H2,18,20).
What are the key properties of 2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide?
2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide has a molecular weight of 274.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide is sourced from PubChem (CID 103617386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).