(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide

C14H18N2O2 — CID 6932479

IUPAC(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2CC2(C)C)cc1
InChIInChI=1S/C14H18N2O2/c1-9(17)15-10-4-6-11(7-5-10)16-13(18)12-8-14(12,2)3/h4-7,12H,8H2,1-3H3,(H,15,17)(H,16,18)/t12-/m1/s1
InChIKeyDKTKFFPWQPSKAM-GFCCVEGCSA-N
MW246.31 g/mol
LogP2.63
Rot. Bonds3

About (1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide

(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 6932479) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID6932479
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)[C@H]2CC2(C)C)cc1
InChIInChI=1S/C14H18N2O2/c1-9(17)15-10-4-6-11(7-5-10)16-13(18)12-8-14(12,2)3/h4-7,12H,8H2,1-3H3,(H,15,17)(H,16,18)/t12-/m1/s1
InChIKeyDKTKFFPWQPSKAM-GFCCVEGCSA-N
XLogP2.63
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide
CID 20632813
N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 15487895
N-(4-acetamidophenyl)spiro[2.3]hexane-2-carboxamide
CID 56689692
N-(3,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 142139322
N-[4-[[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-methoxymethyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 12989212
N-(4-acetamidophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23916671
N-(4-azidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 166390708
(1S)-2,2-dimethyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]cyclopropane-1-carboxamide
CID 122159832
3-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]-2-methylpropanoic acid
CID 120541168
N-[4-(cyanomethoxy)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 113319304
2,2-dimethyl-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]cyclopropane-1-carboxamide
CID 70518829
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 6932479) is (1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide is CC(=O)Nc1ccc(NC(=O)[C@H]2CC2(C)C)cc1.
What is the InChIKey of (1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is DKTKFFPWQPSKAM-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(17)15-10-4-6-11(7-5-10)16-13(18)12-8-14(12,2)3/h4-7,12H,8H2,1-3H3,(H,15,17)(H,16,18)/t12-/m1/s1.
What are the key properties of (1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 6932479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).