N-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide

C16H26N2O2 — CID 114492846

IUPACN-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide
SMILESCCC(O)(CC)CNCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O2/c1-4-16(20,5-2)12-17-10-11-18-15(19)14-8-6-13(3)7-9-14/h6-9,17,20H,4-5,10-12H2,1-3H3,(H,18,19)
InChIKeyJOQWZYLCYJEURG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.87
Rot. Bonds8

About N-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide

N-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide (PubChem CID 114492846) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide
PubChem CID114492846
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide
SMILESCCC(O)(CC)CNCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C16H26N2O2/c1-4-16(20,5-2)12-17-10-11-18-15(19)14-8-6-13(3)7-9-14/h6-9,17,20H,4-5,10-12H2,1-3H3,(H,18,19)
InChIKeyJOQWZYLCYJEURG-UHFFFAOYSA-N
XLogP1.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-hydroxy-2-methylbutyl)amino]ethyl]-4-methylbenzamide
CID 114492848
N-[2-[[2-(hydroxymethyl)-2-methylbutyl]amino]ethyl]-4-methylbenzamide
CID 81419217
2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoic acid
CID 104644042
methyl 2-hydroxy-2-methyl-3-[2-[(4-methylbenzoyl)amino]ethylamino]propanoate
CID 104644043
N-[2-(butylamino)ethyl]-4-methylbenzamide
CID 54880787
N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide
CID 65109665
4-methyl-N-[2-(2-propylsulfonylethylamino)ethyl]benzamide
CID 106723308
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-(2-ethyl-2-hydroxybutyl)-4-formylbenzamide
CID 111463479
N-[2-(2-ethylsulfanylethylamino)ethyl]-4-methylbenzamide
CID 104668564
4-acetyl-N-(2-ethyl-2-hydroxybutyl)benzamide
CID 111483322

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide (CID 114492846) is N-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide is CCC(O)(CC)CNCCNC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide?
The InChIKey is JOQWZYLCYJEURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-16(20,5-2)12-17-10-11-18-15(19)14-8-6-13(3)7-9-14/h6-9,17,20H,4-5,10-12H2,1-3H3,(H,18,19).
What are the key properties of N-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide?
N-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide has a molecular weight of 278.40 g/mol, XLogP of 1.87, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 114492846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).