N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide

C14H19NO — CID 142139322

IUPACN-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC2(C)C)cc1C
InChIInChI=1S/C14H19NO/c1-9-5-6-11(7-10(9)2)15-13(16)12-8-14(12,3)4/h5-7,12H,8H2,1-4H3,(H,15,16)
InChIKeyYWTNLVMOOJZGRX-UHFFFAOYSA-N
MW217.31 g/mol
LogP3.29
Rot. Bonds2

About N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide

N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 142139322) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID142139322
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC2(C)C)cc1C
InChIInChI=1S/C14H19NO/c1-9-5-6-11(7-10(9)2)15-13(16)12-8-14(12,3)4/h5-7,12H,8H2,1-4H3,(H,15,16)
InChIKeyYWTNLVMOOJZGRX-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
N-[3-(3-amino-2,4-difluorophenyl)-4-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 134441971
4-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-methoxybenzoic acid
CID 107208664
N-(4-hydroxy-3-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179808
4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide
CID 20632813
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156
cis-(1R,3S)-3-[(3,4-dimethylphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091670
N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 15487895
(1S)-N-(5-fluoro-2-methylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 137467542
3-[(2,2-dimethylcyclopropanecarbonyl)amino]-4-methylbenzoic acid
CID 106703341
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N-(3-carbamothioyl-4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107001572

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 142139322) is N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2CC2(C)C)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is YWTNLVMOOJZGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-9-5-6-11(7-10(9)2)15-13(16)12-8-14(12,3)4/h5-7,12H,8H2,1-4H3,(H,15,16).
What are the key properties of N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 217.31 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 142139322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).