3-(methylamino)-3-[4-(2-methylpropyl)phenyl]butanamide

C15H24N2O — CID 65236691

IUPAC3-(methylamino)-3-[4-(2-methylpropyl)phenyl]butanamide
SMILESCNC(C)(CC(N)=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-11(2)9-12-5-7-13(8-6-12)15(3,17-4)10-14(16)18/h5-8,11,17H,9-10H2,1-4H3,(H2,16,18)
InChIKeyOACOLYBNVYIRQU-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.20
Rot. Bonds6

About 3-(methylamino)-3-[4-(2-methylpropyl)phenyl]butanamide

3-(methylamino)-3-[4-(2-methylpropyl)phenyl]butanamide (PubChem CID 65236691) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(methylamino)-3-[4-(2-methylpropyl)phenyl]butanamide.

Molecular Properties

Compound Name3-(methylamino)-3-[4-(2-methylpropyl)phenyl]butanamide
PubChem CID65236691
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(methylamino)-3-[4-(2-methylpropyl)phenyl]butanamide
SMILESCNC(C)(CC(N)=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C15H24N2O/c1-11(2)9-12-5-7-13(8-6-12)15(3,17-4)10-14(16)18/h5-8,11,17H,9-10H2,1-4H3,(H2,16,18)
InChIKeyOACOLYBNVYIRQU-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-[4-(2-methylpropyl)phenyl]propan-2-amine
CID 82283210
methyl 4-amino-3-methyl-3-[4-(2-methylpropyl)phenyl]pentanoate
CID 66098334
methyl 3-hydroxy-3-[4-(2-methylpropyl)phenyl]-2-propan-2-ylbutanoate
CID 62395639
2-[4-(2-methylpropyl)anilino]acetamide
CID 96671110
3-methyl-3-[4-(2-methylpropyl)phenyl]butanoic acid
CID 79019407
2-(ethylamino)-2-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 61050325
3-(methylamino)-3-pyridin-3-ylbutanamide
CID 65236236
3-(4-fluorophenyl)-3-(methylamino)butanoic acid
CID 65236553
[2-hydroxy-2-[4-(2-methylpropyl)phenyl]propyl] acetate
CID 10264130
2-[4-(2-methylpropyl)phenyl]butan-2-ol
CID 91656197
acetic acid;ethyl 2-(diethylamino)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 175096043
1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene
CID 143199593

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-3-[4-(2-methylpropyl)phenyl]butanamide?
The IUPAC name of 3-(methylamino)-3-[4-(2-methylpropyl)phenyl]butanamide (CID 65236691) is 3-(methylamino)-3-[4-(2-methylpropyl)phenyl]butanamide.
What is the SMILES notation for 3-(methylamino)-3-[4-(2-methylpropyl)phenyl]butanamide?
The canonical SMILES for 3-(methylamino)-3-[4-(2-methylpropyl)phenyl]butanamide is CNC(C)(CC(N)=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 3-(methylamino)-3-[4-(2-methylpropyl)phenyl]butanamide?
The InChIKey is OACOLYBNVYIRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)9-12-5-7-13(8-6-12)15(3,17-4)10-14(16)18/h5-8,11,17H,9-10H2,1-4H3,(H2,16,18).
What are the key properties of 3-(methylamino)-3-[4-(2-methylpropyl)phenyl]butanamide?
3-(methylamino)-3-[4-(2-methylpropyl)phenyl]butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-3-[4-(2-methylpropyl)phenyl]butanamide is sourced from PubChem (CID 65236691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).