cumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide

C23H31NO — CID 159103877

IUPACcumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
SMILESCC(C)c1cccc(CNC(=O)C2CC2)c1.CC(C)c1ccccc1
InChIInChI=1S/C14H19NO.C9H12/c1-10(2)13-5-3-4-11(8-13)9-15-14(16)12-6-7-12;1-8(2)9-6-4-3-5-7-9/h3-5,8,10,12H,6-7,9H2,1-2H3,(H,15,16);3-8H,1-2H3
InChIKeyKDQBSHDBLJJLGO-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.65
Rot. Bonds5

About cumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide

cumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide (PubChem CID 159103877) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is cumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide.

Molecular Properties

Compound Namecumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
PubChem CID159103877
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Namecumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide
SMILESCC(C)c1cccc(CNC(=O)C2CC2)c1.CC(C)c1ccccc1
InChIInChI=1S/C14H19NO.C9H12/c1-10(2)13-5-3-4-11(8-13)9-15-14(16)12-6-7-12;1-8(2)9-6-4-3-5-7-9/h3-5,8,10,12H,6-7,9H2,1-2H3,(H,15,16);3-8H,1-2H3
InChIKeyKDQBSHDBLJJLGO-UHFFFAOYSA-N
XLogP5.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze cumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cumene;N-[(4-methylphenyl)methyl]cyclopropanecarboxamide
CID 171096980
4-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672608
3-[(4-propan-2-ylphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550612
1-methyl-3-[(3-propan-2-ylphenyl)methyl]urea
CID 58988184
1-N-[(3-methylphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148085
4-N-[(3-methylphenyl)methyl]-1-N-(2-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148068
N-benzyl-4-hydroxycyclohexane-1-carboxamide
CID 21217684
N-benzylcyclobutanecarboxamide
CID 730128
N-benzylcyclopentanecarboxamide
CID 835634
N-benzyl-1-(2-phenylpropanoyl)piperidine-4-carboxamide
CID 11035504
4-[(3-bromophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783652
N-benzylpiperidine-4-carboxamide
CID 3868064

Frequently Asked Questions

What is the IUPAC name of cumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide?
The IUPAC name of cumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide (CID 159103877) is cumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide.
What is the SMILES notation for cumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide?
The canonical SMILES for cumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide is CC(C)c1cccc(CNC(=O)C2CC2)c1.CC(C)c1ccccc1.
What is the InChIKey of cumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide?
The InChIKey is KDQBSHDBLJJLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.C9H12/c1-10(2)13-5-3-4-11(8-13)9-15-14(16)12-6-7-12;1-8(2)9-6-4-3-5-7-9/h3-5,8,10,12H,6-7,9H2,1-2H3,(H,15,16);3-8H,1-2H3.
What are the key properties of cumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide?
cumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide has a molecular weight of 337.51 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;N-[(3-propan-2-ylphenyl)methyl]cyclopropanecarboxamide is sourced from PubChem (CID 159103877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).