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

C18H28N2O — CID 103917259

IUPACN,2,2-trimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
SMILESCNC(=O)C(C)(C)CNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-18(2,17(21)19-3)13-20-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-8,15-16,20H,9-13H2,1-3H3,(H,19,21)
InChIKeyCSHSXAMCBLKQJC-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.07
Rot. Bonds5

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

N,2,2-trimethyl-3-[(4-phenylcyclohexyl)amino]propanamide (PubChem CID 103917259) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[(4-phenylcyclohexyl)amino]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
PubChem CID103917259
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN,2,2-trimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
SMILESCNC(=O)C(C)(C)CNC1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-18(2,17(21)19-3)13-20-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-8,15-16,20H,9-13H2,1-3H3,(H,19,21)
InChIKeyCSHSXAMCBLKQJC-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 103617386
N-(2,2-dimethylpropyl)-4-phenylcyclohexan-1-amine
CID 19381411
2-methyl-1-[(4-phenylcyclohexyl)amino]pentan-2-ol
CID 103783342
tert-butyl 2-[(4-phenylcyclohexyl)amino]acetate
CID 13312583
2-amino-2-methyl-N-(4-phenylcyclohexyl)butanamide
CID 79796546
3-[(3-amino-2,3-dihydro-1H-inden-1-yl)amino]-N,2,2-trimethylpropanamide
CID 106275626
3-methyl-1-[(4-phenylcyclohexyl)amino]butan-2-ol
CID 115720405
2-methyl-N-[2-[(4-phenylcyclohexyl)amino]ethyl]propanamide
CID 28650865
N,N-dimethyl-3-[(4-phenylcyclohexyl)amino]propanamide
CID 60925916
3-amino-3-methyl-N-(4-phenylcyclohexyl)butanamide
CID 64683408
N,2,2-trimethyl-3-[(3-methylcyclobutyl)amino]propanamide
CID 104859958
2-[(4-phenylcyclohexyl)amino]ethylurea
CID 83111311

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[(4-phenylcyclohexyl)amino]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[(4-phenylcyclohexyl)amino]propanamide (CID 103917259) is N,2,2-trimethyl-3-[(4-phenylcyclohexyl)amino]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[(4-phenylcyclohexyl)amino]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[(4-phenylcyclohexyl)amino]propanamide is CNC(=O)C(C)(C)CNC1CCC(c2ccccc2)CC1.
What is the InChIKey of N,2,2-trimethyl-3-[(4-phenylcyclohexyl)amino]propanamide?
The InChIKey is CSHSXAMCBLKQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2,17(21)19-3)13-20-16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-8,15-16,20H,9-13H2,1-3H3,(H,19,21).
What are the key properties of N,2,2-trimethyl-3-[(4-phenylcyclohexyl)amino]propanamide?
N,2,2-trimethyl-3-[(4-phenylcyclohexyl)amino]propanamide has a molecular weight of 288.44 g/mol, XLogP of 3.07, 5 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-[(4-phenylcyclohexyl)amino]propanamide is sourced from PubChem (CID 103917259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).