N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide

C16H26N2O — CID 109032011

IUPACN-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide
SMILESCc1ccc(C)c(NC(=O)CCNCCC(C)C)c1
InChIInChI=1S/C16H26N2O/c1-12(2)7-9-17-10-8-16(19)18-15-11-13(3)5-6-14(15)4/h5-6,11-12,17H,7-10H2,1-4H3,(H,18,19)
InChIKeyZKXIOYPLHMGRGZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.27
Rot. Bonds7

About N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide

N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide (PubChem CID 109032011) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide
PubChem CID109032011
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide
SMILESCc1ccc(C)c(NC(=O)CCNCCC(C)C)c1
InChIInChI=1S/C16H26N2O/c1-12(2)7-9-17-10-8-16(19)18-15-11-13(3)5-6-14(15)4/h5-6,11-12,17H,7-10H2,1-4H3,(H,18,19)
InChIKeyZKXIOYPLHMGRGZ-UHFFFAOYSA-N
XLogP3.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.27
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

3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109016422
N-(4-chloro-2-methylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032034
4-amino-N-(2,5-dimethylphenyl)pentanamide;hydrochloride
CID 120558604
5-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82683861
N-(3,4-dimethylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032012
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
3-[acetyl(2-methylpropyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 113116007
3-(3-methylbutylamino)-N-(2-propan-2-ylphenyl)propanamide
CID 109032020
3-[(4-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109021847
N-(2,4-dimethylphenyl)-3-(propylamino)propanamide
CID 109011557
N-(2,5-dimethylphenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 65416437
(2S)-2-bromo-N-[3-(2,5-dimethylanilino)-3-oxopropyl]pentanamide
CID 40803266

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide (CID 109032011) is N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide is Cc1ccc(C)c(NC(=O)CCNCCC(C)C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide?
The InChIKey is ZKXIOYPLHMGRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)7-9-17-10-8-16(19)18-15-11-13(3)5-6-14(15)4/h5-6,11-12,17H,7-10H2,1-4H3,(H,18,19).
What are the key properties of N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide?
N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide has a molecular weight of 262.40 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide is sourced from PubChem (CID 109032011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).