3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide

C18H28N2O — CID 63043944

IUPAC3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C(NC(=O)C1CCCC(N)C1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-18(2,3)16(13-8-5-4-6-9-13)20-17(21)14-10-7-11-15(19)12-14/h4-6,8-9,14-16H,7,10-12,19H2,1-3H3,(H,20,21)
InChIKeyPCLLWHVDRCVVKL-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.41
Rot. Bonds3

About 3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide

3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide (PubChem CID 63043944) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide
PubChem CID63043944
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)C(NC(=O)C1CCCC(N)C1)c1ccccc1
InChIInChI=1S/C18H28N2O/c1-18(2,3)16(13-8-5-4-6-9-13)20-17(21)14-10-7-11-15(19)12-14/h4-6,8-9,14-16H,7,10-12,19H2,1-3H3,(H,20,21)
InChIKeyPCLLWHVDRCVVKL-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(dimethylamino)-1-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119836139
3-amino-N-[(3-chlorophenyl)-phenylmethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119736446
3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide
CID 119771346
N-(2,2-dimethyl-1-phenylpropyl)-2-methylpiperidine-4-carboxamide
CID 106738996
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828747
3-amino-N-[2-(dimethylamino)-2-phenylethyl]cyclohexane-1-carboxamide
CID 63046098
3-amino-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 119778147
3-amino-N-[1-(benzylamino)-1-oxopropan-2-yl]cyclohexane-1-carboxamide;hydrochloride
CID 119750964
3-amino-N-benzylcyclohexane-1-carboxamide;hydrochloride
CID 119669914
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81349509
3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693830
3-amino-N-(4-hydroxy-2-phenylpentyl)cyclohexane-1-carboxamide
CID 119821976

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide (CID 63043944) is 3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide is CC(C)(C)C(NC(=O)C1CCCC(N)C1)c1ccccc1.
What is the InChIKey of 3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide?
The InChIKey is PCLLWHVDRCVVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-18(2,3)16(13-8-5-4-6-9-13)20-17(21)14-10-7-11-15(19)12-14/h4-6,8-9,14-16H,7,10-12,19H2,1-3H3,(H,20,21).
What are the key properties of 3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide?
3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-dimethyl-1-phenylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 63043944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).