N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride

C16H27ClN2O — CID 119779210

IUPACN-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NC(C)Cc1ccc(C)cc1C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-12-7-8-15(13(2)10-12)11-14(3)18-16(19)6-5-9-17-4;/h7-8,10,14,17H,5-6,9,11H2,1-4H3,(H,18,19);1H
InChIKeyLNYBPZQHYNOODU-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.77
Rot. Bonds7

About N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride

N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride (PubChem CID 119779210) has the molecular formula C16H27ClN2O and a molecular weight of 298.86 g/mol. Its IUPAC name is N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride
PubChem CID119779210
Molecular FormulaC16H27ClN2O
Molecular Weight298.86 g/mol
Exact Mass298.18
IUPAC NameN-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride
SMILESCNCCCC(=O)NC(C)Cc1ccc(C)cc1C.Cl
InChIInChI=1S/C16H26N2O.ClH/c1-12-7-8-15(13(2)10-12)11-14(3)18-16(19)6-5-9-17-4;/h7-8,10,14,17H,5-6,9,11H2,1-4H3,(H,18,19);1H
InChIKeyLNYBPZQHYNOODU-UHFFFAOYSA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.77
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-[(2R)-1-(2,4-dimethylphenyl)propan-2-yl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 95617271
(2R)-2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]propanamide
CID 119321025
3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430139
N-[(2S)-1-aminopropan-2-yl]-3-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 120507266
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
3-(2,4-dimethylphenyl)-N-[3-(methylamino)propyl]propanamide
CID 119430140
4-(methylamino)-N-[(1S)-1-(3-methylphenyl)ethyl]butanamide
CID 81360998
4-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride
CID 119733487
N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenyl)acetamide
CID 95875267
N-[2-(2,5-dimethylphenyl)ethyl]-4-(methylamino)butanamide
CID 115155771
N-[1-(2,4-dimethylphenyl)propan-2-yl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 56803675
2-amino-N-[1-(2,4-dimethylphenyl)propan-2-yl]-3-methylpentanamide
CID 119779245

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride?
The IUPAC name of N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride (CID 119779210) is N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride.
What is the SMILES notation for N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride?
The canonical SMILES for N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride is CNCCCC(=O)NC(C)Cc1ccc(C)cc1C.Cl.
What is the InChIKey of N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride?
The InChIKey is LNYBPZQHYNOODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O.ClH/c1-12-7-8-15(13(2)10-12)11-14(3)18-16(19)6-5-9-17-4;/h7-8,10,14,17H,5-6,9,11H2,1-4H3,(H,18,19);1H.
What are the key properties of N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride?
N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride has a molecular weight of 298.86 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethylphenyl)propan-2-yl]-4-(methylamino)butanamide;hydrochloride is sourced from PubChem (CID 119779210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).