2-(aminomethyl)-3-methyl-3-phenylbutanamide

C12H18N2O — CID 139627038

IUPAC2-(aminomethyl)-3-methyl-3-phenylbutanamide
SMILESCC(C)(c1ccccc1)C(CN)C(N)=O
InChIInChI=1S/C12H18N2O/c1-12(2,10(8-13)11(14)15)9-6-4-3-5-7-9/h3-7,10H,8,13H2,1-2H3,(H2,14,15)
InChIKeyGYBBGVMRUZYFOR-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.02
Rot. Bonds4

About 2-(aminomethyl)-3-methyl-3-phenylbutanamide

2-(aminomethyl)-3-methyl-3-phenylbutanamide (PubChem CID 139627038) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(aminomethyl)-3-methyl-3-phenylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-methyl-3-phenylbutanamide
PubChem CID139627038
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-(aminomethyl)-3-methyl-3-phenylbutanamide
SMILESCC(C)(c1ccccc1)C(CN)C(N)=O
InChIInChI=1S/C12H18N2O/c1-12(2,10(8-13)11(14)15)9-6-4-3-5-7-9/h3-7,10H,8,13H2,1-2H3,(H2,14,15)
InChIKeyGYBBGVMRUZYFOR-UHFFFAOYSA-N
XLogP1.02
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Phenylethylmalonamide
CID 23611
2-Phenylbutanamide
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Cft 1042
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Cyclohexaneacetamide, 4-phenyl-
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Ibuprofenamide
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N-(2,2-Dimethyl-3-phenyl-cyclopropanecarbonyl)-guanidine
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2-Phenylpropionamide, (RS)-
CID 223465
(2R)-2-phenylpropanamide
CID 12399234
(R)-Ibuprofenamide
CID 715794
4-tert-butyl-N-(3-phenylpropyl)cyclohexane-1-carboxamide
CID 51354308
2-Cyclohexyl-2-phenylacetamide
CID 4304422

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-methyl-3-phenylbutanamide?
The IUPAC name of 2-(aminomethyl)-3-methyl-3-phenylbutanamide (CID 139627038) is 2-(aminomethyl)-3-methyl-3-phenylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-3-methyl-3-phenylbutanamide?
The canonical SMILES for 2-(aminomethyl)-3-methyl-3-phenylbutanamide is CC(C)(c1ccccc1)C(CN)C(N)=O.
What is the InChIKey of 2-(aminomethyl)-3-methyl-3-phenylbutanamide?
The InChIKey is GYBBGVMRUZYFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-12(2,10(8-13)11(14)15)9-6-4-3-5-7-9/h3-7,10H,8,13H2,1-2H3,(H2,14,15).
What are the key properties of 2-(aminomethyl)-3-methyl-3-phenylbutanamide?
2-(aminomethyl)-3-methyl-3-phenylbutanamide has a molecular weight of 206.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-methyl-3-phenylbutanamide is sourced from PubChem (CID 139627038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).