N,2,2-trimethyl-3-[(3,3,5-trimethylcyclohexyl)amino]propanamide

C15H30N2O — CID 113278318

IUPACN,2,2-trimethyl-3-[(3,3,5-trimethylcyclohexyl)amino]propanamide
SMILESCNC(=O)C(C)(C)CNC1CC(C)CC(C)(C)C1
InChIInChI=1S/C15H30N2O/c1-11-7-12(9-14(2,3)8-11)17-10-15(4,5)13(18)16-6/h11-12,17H,7-10H2,1-6H3,(H,16,18)
InChIKeyOKXAITLMKHGWPC-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.56
Rot. Bonds4

About N,2,2-trimethyl-3-[(3,3,5-trimethylcyclohexyl)amino]propanamide

N,2,2-trimethyl-3-[(3,3,5-trimethylcyclohexyl)amino]propanamide (PubChem CID 113278318) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[(3,3,5-trimethylcyclohexyl)amino]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[(3,3,5-trimethylcyclohexyl)amino]propanamide
PubChem CID113278318
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN,2,2-trimethyl-3-[(3,3,5-trimethylcyclohexyl)amino]propanamide
SMILESCNC(=O)C(C)(C)CNC1CC(C)CC(C)(C)C1
InChIInChI=1S/C15H30N2O/c1-11-7-12(9-14(2,3)8-11)17-10-15(4,5)13(18)16-6/h11-12,17H,7-10H2,1-6H3,(H,16,18)
InChIKeyOKXAITLMKHGWPC-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-(3,3,5-trimethylcyclohexyl)acetamide
CID 304852
2-methyl-N-({1,3,3-trimethyl-5-[(2-methylpropanoyl)amino]cyclohexyl}methyl)propanamide
CID 4122522
N-(3,3,5-trimethylcyclohexyl)cyclobutanecarboxamide
CID 4189567
N-(4-tert-butylcyclohexyl)-2,2-dimethylpropanamide
CID 164672971
3-amino-N-(2,6-dimethylcyclohexyl)-N-methylpropanamide
CID 91659607
3-[[(1S)-1-cyclohexyl-2-methylpropyl]amino]-N,N-diethylpropanamide
CID 97258642
(2S)-2-methyl-3-(methylamino)-N-(4-propan-2-ylcyclohexyl)propanamide
CID 99776262
3-[[(S)-cyclohexyl(cyclopropyl)methyl]amino]-2,2-dimethylpropanamide
CID 99853782
3-amino-N-[(2S)-1-cyclohexyl-3,3-dimethylbutan-2-yl]propanamide
CID 100643006
3-fluoro-N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]propanamide
CID 57902249
N-[[(1R,5S)-5-amino-1,3,3-trimethylcyclohexyl]methyl]-2,2,2-trifluoroacetamide
CID 59970268
N-[(5-acetamido-1,3,3-trimethylcyclohexyl)methyl]acetamide
CID 4155081

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[(3,3,5-trimethylcyclohexyl)amino]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[(3,3,5-trimethylcyclohexyl)amino]propanamide (CID 113278318) is N,2,2-trimethyl-3-[(3,3,5-trimethylcyclohexyl)amino]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[(3,3,5-trimethylcyclohexyl)amino]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[(3,3,5-trimethylcyclohexyl)amino]propanamide is CNC(=O)C(C)(C)CNC1CC(C)CC(C)(C)C1.
What is the InChIKey of N,2,2-trimethyl-3-[(3,3,5-trimethylcyclohexyl)amino]propanamide?
The InChIKey is OKXAITLMKHGWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11-7-12(9-14(2,3)8-11)17-10-15(4,5)13(18)16-6/h11-12,17H,7-10H2,1-6H3,(H,16,18).
What are the key properties of N,2,2-trimethyl-3-[(3,3,5-trimethylcyclohexyl)amino]propanamide?
N,2,2-trimethyl-3-[(3,3,5-trimethylcyclohexyl)amino]propanamide has a molecular weight of 254.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[(3,3,5-trimethylcyclohexyl)amino]propanamide is sourced from PubChem (CID 113278318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).