4-(methylamino)-N-[2-(3-methylphenyl)propan-2-yl]butanamide

C15H24N2O — CID 119795625

IUPAC4-(methylamino)-N-[2-(3-methylphenyl)propan-2-yl]butanamide
SMILESCNCCCC(=O)NC(C)(C)c1cccc(C)c1
InChIInChI=1S/C15H24N2O/c1-12-7-5-8-13(11-12)15(2,3)17-14(18)9-6-10-16-4/h5,7-8,11,16H,6,9-10H2,1-4H3,(H,17,18)
InChIKeyFILKPUJOORQHOM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.35
Rot. Bonds6

About 4-(methylamino)-N-[2-(3-methylphenyl)propan-2-yl]butanamide

4-(methylamino)-N-[2-(3-methylphenyl)propan-2-yl]butanamide (PubChem CID 119795625) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(3-methylphenyl)propan-2-yl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(3-methylphenyl)propan-2-yl]butanamide
PubChem CID119795625
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-(methylamino)-N-[2-(3-methylphenyl)propan-2-yl]butanamide
SMILESCNCCCC(=O)NC(C)(C)c1cccc(C)c1
InChIInChI=1S/C15H24N2O/c1-12-7-5-8-13(11-12)15(2,3)17-14(18)9-6-10-16-4/h5,7-8,11,16H,6,9-10H2,1-4H3,(H,17,18)
InChIKeyFILKPUJOORQHOM-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 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 ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methylphenyl)propan-2-yl]propanamide
CID 118233216
2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119330311
N-[2-(4-bromophenyl)propan-2-yl]-4-(methylamino)butanamide
CID 60842935
2-(2-methoxyethylamino)-N-[2-(3-methylphenyl)propan-2-yl]acetamide
CID 119795652
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide
CID 119810304
4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride
CID 119745493
4-(methylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
CID 81360998
N-[2-(4-methylphenyl)propan-2-yl]-6,7-dioxoheptanamide
CID 174266948
butan-2-yl N-[2-(3-methylphenyl)propan-2-yl]carbamate
CID 20658639
N-[2-(3-methylphenyl)propan-2-yl]-2-(1-methylpiperidin-2-yl)acetamide
CID 168742135
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
N-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119795645

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(3-methylphenyl)propan-2-yl]butanamide?
The IUPAC name of 4-(methylamino)-N-[2-(3-methylphenyl)propan-2-yl]butanamide (CID 119795625) is 4-(methylamino)-N-[2-(3-methylphenyl)propan-2-yl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[2-(3-methylphenyl)propan-2-yl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[2-(3-methylphenyl)propan-2-yl]butanamide is CNCCCC(=O)NC(C)(C)c1cccc(C)c1.
What is the InChIKey of 4-(methylamino)-N-[2-(3-methylphenyl)propan-2-yl]butanamide?
The InChIKey is FILKPUJOORQHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12-7-5-8-13(11-12)15(2,3)17-14(18)9-6-10-16-4/h5,7-8,11,16H,6,9-10H2,1-4H3,(H,17,18).
What are the key properties of 4-(methylamino)-N-[2-(3-methylphenyl)propan-2-yl]butanamide?
4-(methylamino)-N-[2-(3-methylphenyl)propan-2-yl]butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(3-methylphenyl)propan-2-yl]butanamide is sourced from PubChem (CID 119795625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).