2-N-tert-butyl-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide

C16H22N2O2 — CID 109139590

IUPAC2-N-tert-butyl-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCN(C(=O)C1CC1C(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)17-14(19)12-10-13(12)15(20)18(4)11-8-6-5-7-9-11/h5-9,12-13H,10H2,1-4H3,(H,17,19)
InChIKeyOFFFHKLNVRTONX-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.20
Rot. Bonds3

About 2-N-tert-butyl-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide

2-N-tert-butyl-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide (PubChem CID 109139590) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-N-tert-butyl-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-tert-butyl-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
PubChem CID109139590
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-N-tert-butyl-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
SMILESCN(C(=O)C1CC1C(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H22N2O2/c1-16(2,3)17-14(19)12-10-13(12)15(20)18(4)11-8-6-5-7-9-11/h5-9,12-13H,10H2,1-4H3,(H,17,19)
InChIKeyOFFFHKLNVRTONX-UHFFFAOYSA-N
XLogP2.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-tert-butyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109139586
2-N-(2,6-dimethylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141218
2-N-(3-chloro-2-methylphenyl)-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141236
1-N-tert-butyl-2-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109135625
2-N-[(4-fluorophenyl)methyl]-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109136072
1-N-methyl-2-N-(2-phenoxyphenyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141291
(1R,2S)-1-N,2-N-dimethyl-1-N,2-N-diphenylcyclohex-4-ene-1,2-dicarboxamide
CID 92533966
1-N-tert-butyl-2-N-(2-tert-butylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139608
1-N-tert-butyl-4-N-ethyl-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109149575
1-N-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109141275
2-N-tert-butyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138072
1-N-tert-butyl-2-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139597

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-tert-butyl-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide (CID 109139590) is 2-N-tert-butyl-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-tert-butyl-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-tert-butyl-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide is CN(C(=O)C1CC1C(=O)NC(C)(C)C)c1ccccc1.
What is the InChIKey of 2-N-tert-butyl-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
The InChIKey is OFFFHKLNVRTONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(2,3)17-14(19)12-10-13(12)15(20)18(4)11-8-6-5-7-9-11/h5-9,12-13H,10H2,1-4H3,(H,17,19).
What are the key properties of 2-N-tert-butyl-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide?
2-N-tert-butyl-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-1-N-methyl-1-N-phenylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).