N-[2-[(2-hydroxy-2-methylbutyl)amino]ethyl]-4-methylbenzamide

C15H24N2O2 — CID 114492848

IUPACN-[2-[(2-hydroxy-2-methylbutyl)amino]ethyl]-4-methylbenzamide
SMILESCCC(C)(O)CNCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O2/c1-4-15(3,19)11-16-9-10-17-14(18)13-7-5-12(2)6-8-13/h5-8,16,19H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyXJDJIEWJWBRJBZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.48
Rot. Bonds7

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

N-[2-[(2-hydroxy-2-methylbutyl)amino]ethyl]-4-methylbenzamide (PubChem CID 114492848) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[2-[(2-hydroxy-2-methylbutyl)amino]ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-hydroxy-2-methylbutyl)amino]ethyl]-4-methylbenzamide
PubChem CID114492848
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-[2-[(2-hydroxy-2-methylbutyl)amino]ethyl]-4-methylbenzamide
SMILESCCC(C)(O)CNCCNC(=O)c1ccc(C)cc1
InChIInChI=1S/C15H24N2O2/c1-4-15(3,19)11-16-9-10-17-14(18)13-7-5-12(2)6-8-13/h5-8,16,19H,4,9-11H2,1-3H3,(H,17,18)
InChIKeyXJDJIEWJWBRJBZ-UHFFFAOYSA-N
XLogP1.48
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.48
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-ethyl-2-hydroxybutyl)amino]ethyl]-4-methylbenzamide
CID 114492846
N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide
CID 65109665
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-[[2-(tert-butylamino)-2-oxoethyl]amino]ethyl]-4-methylbenzamide
CID 60966159
1-tert-butyl-4-methylbenzene;bis(4-tert-butyl-N-propylbenzamide)
CID 159281863
N-(2-acetamidoethyl)-4-methylbenzamide
CID 4186573
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
4-bromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65111325
4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65107691

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydroxy-2-methylbutyl)amino]ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-[(2-hydroxy-2-methylbutyl)amino]ethyl]-4-methylbenzamide (CID 114492848) is N-[2-[(2-hydroxy-2-methylbutyl)amino]ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-[(2-hydroxy-2-methylbutyl)amino]ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-[(2-hydroxy-2-methylbutyl)amino]ethyl]-4-methylbenzamide is CCC(C)(O)CNCCNC(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[(2-hydroxy-2-methylbutyl)amino]ethyl]-4-methylbenzamide?
The InChIKey is XJDJIEWJWBRJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-15(3,19)11-16-9-10-17-14(18)13-7-5-12(2)6-8-13/h5-8,16,19H,4,9-11H2,1-3H3,(H,17,18).
What are the key properties of N-[2-[(2-hydroxy-2-methylbutyl)amino]ethyl]-4-methylbenzamide?
N-[2-[(2-hydroxy-2-methylbutyl)amino]ethyl]-4-methylbenzamide has a molecular weight of 264.37 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydroxy-2-methylbutyl)amino]ethyl]-4-methylbenzamide is sourced from PubChem (CID 114492848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).