N-(5-amino-2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide

C14H20N2O — CID 107000303

IUPACN-(5-amino-2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CC2(C)C)cc1N
InChIInChI=1S/C14H20N2O/c1-8-5-9(2)12(6-11(8)15)16-13(17)10-7-14(10,3)4/h5-6,10H,7,15H2,1-4H3,(H,16,17)
InChIKeyFRCBUBHFYONUPB-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.87
Rot. Bonds2

About N-(5-amino-2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide

N-(5-amino-2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 107000303) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(5-amino-2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID107000303
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(5-amino-2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCc1cc(C)c(NC(=O)C2CC2(C)C)cc1N
InChIInChI=1S/C14H20N2O/c1-8-5-9(2)12(6-11(8)15)16-13(17)10-7-14(10,3)4/h5-6,10H,7,15H2,1-4H3,(H,16,17)
InChIKeyFRCBUBHFYONUPB-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.87
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

(1S)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 144562744
N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000287
(1S)-N-(5-fluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 137467542
3-[(2,2-dimethylcyclopropanecarbonyl)amino]-4-methylbenzoic acid
CID 106703341
N-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000204
N-[2-amino-4-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107000194
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002397
N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 104756910
N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 142139322
N-(5-amino-2,4-dimethylphenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 104757107
N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107174697
N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107800827

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-amino-2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 107000303) is N-(5-amino-2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-amino-2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-amino-2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide is Cc1cc(C)c(NC(=O)C2CC2(C)C)cc1N.
What is the InChIKey of N-(5-amino-2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is FRCBUBHFYONUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-8-5-9(2)12(6-11(8)15)16-13(17)10-7-14(10,3)4/h5-6,10H,7,15H2,1-4H3,(H,16,17).
What are the key properties of N-(5-amino-2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(5-amino-2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107000303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).