N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide

C16H24N2O — CID 107174944

IUPACN-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCc1cc(N)cc(C)c1NC(=O)C1CCCC1(C)C
InChIInChI=1S/C16H24N2O/c1-10-8-12(17)9-11(2)14(10)18-15(19)13-6-5-7-16(13,3)4/h8-9,13H,5-7,17H2,1-4H3,(H,18,19)
InChIKeyLMGQLEDMPLZJCP-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.65
Rot. Bonds2

About N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide

N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107174944) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107174944
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCc1cc(N)cc(C)c1NC(=O)C1CCCC1(C)C
InChIInChI=1S/C16H24N2O/c1-10-8-12(17)9-11(2)14(10)18-15(19)13-6-5-7-16(13,3)4/h8-9,13H,5-7,17H2,1-4H3,(H,18,19)
InChIKeyLMGQLEDMPLZJCP-UHFFFAOYSA-N
XLogP3.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000287
2-[(2,2-dimethylcyclopentanecarbonyl)amino]-3,5-dimethylbenzoic acid
CID 107175446
N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107174697
N-(2-amino-4,6-dibromophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174811
N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174704
N-(3-amino-4-bromophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174941
N-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174818
N-(3-amino-4-ethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174844
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
N-(5-amino-1,3,4-thiadiazol-2-yl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107186280
N-(3,5-dichloro-4-hydroxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920538
5-[(2,2-dimethylcyclopentanecarbonyl)amino]-2,3-dimethylbenzoic acid
CID 107175434

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide (CID 107174944) is N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide is Cc1cc(N)cc(C)c1NC(=O)C1CCCC1(C)C.
What is the InChIKey of N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is LMGQLEDMPLZJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-10-8-12(17)9-11(2)14(10)18-15(19)13-6-5-7-16(13,3)4/h8-9,13H,5-7,17H2,1-4H3,(H,18,19).
What are the key properties of N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 260.38 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107174944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).