N-[2-(butylamino)ethyl]-4-methylbenzamide

C14H22N2O — CID 54880787

IUPACN-[2-(butylamino)ethyl]-4-methylbenzamide
SMILESCCCCNCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O/c1-3-4-9-15-10-11-16-14(17)13-7-5-12(2)6-8-13/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyQZZBOEWMIRKSPZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.11
Rot. Bonds7

About N-[2-(butylamino)ethyl]-4-methylbenzamide

N-[2-(butylamino)ethyl]-4-methylbenzamide (PubChem CID 54880787) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[2-(butylamino)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(butylamino)ethyl]-4-methylbenzamide
PubChem CID54880787
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[2-(butylamino)ethyl]-4-methylbenzamide
SMILESCCCCNCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C14H22N2O/c1-3-4-9-15-10-11-16-14(17)13-7-5-12(2)6-8-13/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17)
InChIKeyQZZBOEWMIRKSPZ-UHFFFAOYSA-N
XLogP2.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.11
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

1-N-butyl-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109043732
4-methyl-N-[2-(2-propoxyethylamino)ethyl]benzamide
CID 106451707
4-methyl-N-[2-(2-propylsulfonylethylamino)ethyl]benzamide
CID 106723308
N-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide
CID 104668564
N-[2-[(4-amino-4-hydroxyiminobutyl)amino]ethyl]-4-methylbenzamide
CID 77027007
methyl 3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate
CID 54880678
N-[2-(2-cyanoethylamino)ethyl]-4-methylbenzamide
CID 54880736
N-[2-[(5-amino-5-hydroxyiminopentyl)amino]ethyl]-4-methylbenzamide
CID 77026876
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
N-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide
CID 114492846
N'-butyl-4-methylbenzohydrazide
CID 118418346

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylamino)ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(butylamino)ethyl]-4-methylbenzamide (CID 54880787) is N-[2-(butylamino)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(butylamino)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(butylamino)ethyl]-4-methylbenzamide is CCCCNCCNC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-(butylamino)ethyl]-4-methylbenzamide?
The InChIKey is QZZBOEWMIRKSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-4-9-15-10-11-16-14(17)13-7-5-12(2)6-8-13/h5-8,15H,3-4,9-11H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(butylamino)ethyl]-4-methylbenzamide?
N-[2-(butylamino)ethyl]-4-methylbenzamide has a molecular weight of 234.34 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)ethyl]-4-methylbenzamide is sourced from PubChem (CID 54880787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).