cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide

C21H27NO — CID 171096980

IUPACcumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
SMILESCC(C)c1ccccc1.Cc1ccc(CNC(=O)C2CC2)cc1
InChIInChI=1S/C12H15NO.C9H12/c1-9-2-4-10(5-3-9)8-13-12(14)11-6-7-11;1-8(2)9-6-4-3-5-7-9/h2-5,11H,6-8H2,1H3,(H,13,14);3-8H,1-2H3
InChIKeyCCJLXKCJVKQSCS-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.83
Rot. Bonds4

About cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide

cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide (PubChem CID 171096980) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound Namecumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
PubChem CID171096980
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Namecumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
SMILESCC(C)c1ccccc1.Cc1ccc(CNC(=O)C2CC2)cc1
InChIInChI=1S/C12H15NO.C9H12/c1-9-2-4-10(5-3-9)8-13-12(14)11-6-7-11;1-8(2)9-6-4-3-5-7-9/h2-5,11H,6-8H2,1H3,(H,13,14);3-8H,1-2H3
InChIKeyCCJLXKCJVKQSCS-UHFFFAOYSA-N
XLogP4.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672608
cumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
CID 159103877
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141
3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550612
1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148148
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
4-N-(2,6-dimethylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148166
trans-(1S,3S)-3-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124552917
1-N-butyl-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145059
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109147749
2-cyclopropyl-N-[(4-methylphenyl)methyl]-2-phenylacetamide
CID 110409297
N-benzyl-4-hydroxycyclohexane-1-carboxamide
CID 21217684

Frequently Asked Questions

What is the IUPAC name of cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide?
The IUPAC name of cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide (CID 171096980) is cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide is CC(C)c1ccccc1.Cc1ccc(CNC(=O)C2CC2)cc1.
What is the InChIKey of cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide?
The InChIKey is CCJLXKCJVKQSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C9H12/c1-9-2-4-10(5-3-9)8-13-12(14)11-6-7-11;1-8(2)9-6-4-3-5-7-9/h2-5,11H,6-8H2,1H3,(H,13,14);3-8H,1-2H3.
What are the key properties of cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide?
cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide has a molecular weight of 309.45 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 171096980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).