2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide

C14H20N2O — CID 79979589

IUPAC2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide
SMILESCC(C)(NCc1cccc(C2CC2)c1)C(N)=O
InChIInChI=1S/C14H20N2O/c1-14(2,13(15)17)16-9-10-4-3-5-12(8-10)11-6-7-11/h3-5,8,11,16H,6-7,9H2,1-2H3,(H2,15,17)
InChIKeyOTMHDMCLCNRLEP-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.92
Rot. Bonds5

About 2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide

2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide (PubChem CID 79979589) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide.

Molecular Properties

Compound Name2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide
PubChem CID79979589
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide
SMILESCC(C)(NCc1cccc(C2CC2)c1)C(N)=O
InChIInChI=1S/C14H20N2O/c1-14(2,13(15)17)16-9-10-4-3-5-12(8-10)11-6-7-11/h3-5,8,11,16H,6-7,9H2,1-2H3,(H2,15,17)
InChIKeyOTMHDMCLCNRLEP-UHFFFAOYSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(1-amino-2-methyl-1-oxopropan-2-yl)amino]methyl]benzamide
CID 61220189
2-[(3-cyclopropylphenyl)methylamino]-2-phenylpropan-1-ol
CID 105057814
ethyl 2-[(3-cyclopropylphenyl)methylamino]propanoate
CID 79979090
N-[(3-cyclopropylphenyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 113450002
2-[2-[(3-cyclopropylphenyl)methylamino]ethoxy]acetamide
CID 106234983
3-[3-(4-tert-butylcyclohexyl)phenyl]propanoic acid
CID 117466138
N-[(3-cyclopropylphenyl)methyl]cyclopentanamine
CID 79979605
2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117366374
4-[(3-cyclopropylphenyl)methylamino]cyclohexan-1-ol
CID 79979684
2,2-dimethyl-3-[3-(thian-4-yl)phenyl]propanoic acid
CID 117446763
1-[(3-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 107151346
N-[1-[(3-cyclopropylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 79984386

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide?
The IUPAC name of 2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide (CID 79979589) is 2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide.
What is the SMILES notation for 2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide?
The canonical SMILES for 2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide is CC(C)(NCc1cccc(C2CC2)c1)C(N)=O.
What is the InChIKey of 2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide?
The InChIKey is OTMHDMCLCNRLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-14(2,13(15)17)16-9-10-4-3-5-12(8-10)11-6-7-11/h3-5,8,11,16H,6-7,9H2,1-2H3,(H2,15,17).
What are the key properties of 2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide?
2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide has a molecular weight of 232.33 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropylphenyl)methylamino]-2-methylpropanamide is sourced from PubChem (CID 79979589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).