N-[2-[(4-hydroxy-2-methylpentyl)amino]-2-oxoethyl]-2-methylbenzamide

C16H24N2O3 — CID 111662203

IUPACN-[2-[(4-hydroxy-2-methylpentyl)amino]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)NCC(C)CC(C)O
InChIInChI=1S/C16H24N2O3/c1-11(8-13(3)19)9-17-15(20)10-18-16(21)14-7-5-4-6-12(14)2/h4-7,11,13,19H,8-10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyIYPLHLMJMOYVME-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.25
Rot. Bonds7

About N-[2-[(4-hydroxy-2-methylpentyl)amino]-2-oxoethyl]-2-methylbenzamide

N-[2-[(4-hydroxy-2-methylpentyl)amino]-2-oxoethyl]-2-methylbenzamide (PubChem CID 111662203) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[(4-hydroxy-2-methylpentyl)amino]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(4-hydroxy-2-methylpentyl)amino]-2-oxoethyl]-2-methylbenzamide
PubChem CID111662203
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-[(4-hydroxy-2-methylpentyl)amino]-2-oxoethyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCC(=O)NCC(C)CC(C)O
InChIInChI=1S/C16H24N2O3/c1-11(8-13(3)19)9-17-15(20)10-18-16(21)14-7-5-4-6-12(14)2/h4-7,11,13,19H,8-10H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyIYPLHLMJMOYVME-UHFFFAOYSA-N
XLogP1.25
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,2-diphenylethylamino)-2-oxoethyl]-2-methylbenzamide
CID 51165739
N-(4-hydroxy-2-methylpentyl)-3-(2-methylphenyl)butanamide
CID 111447562
N-(3-amino-2-methylpropyl)-2-methylbenzamide
CID 62666683
2-methyl-N-[2-oxo-2-(1-phenylethylamino)ethyl]benzamide
CID 42702795
N-(4-hydroxy-2-methylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 71980512
2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]benzamide
CID 21383192
N-(4-amino-2-methylbutyl)-2-methylbenzamide
CID 66089966
2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 18105664
N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
CID 113430408
N-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethyl]-2-methylbenzamide
CID 51162698
N-(hydroxymethyl)-2-methylbenzamide
CID 5234338
2-bromo-N-[2-[(4-hydroxy-2-methylbutyl)amino]-2-oxoethyl]benzamide
CID 66108423

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-hydroxy-2-methylpentyl)amino]-2-oxoethyl]-2-methylbenzamide?
The IUPAC name of N-[2-[(4-hydroxy-2-methylpentyl)amino]-2-oxoethyl]-2-methylbenzamide (CID 111662203) is N-[2-[(4-hydroxy-2-methylpentyl)amino]-2-oxoethyl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[(4-hydroxy-2-methylpentyl)amino]-2-oxoethyl]-2-methylbenzamide?
The canonical SMILES for N-[2-[(4-hydroxy-2-methylpentyl)amino]-2-oxoethyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCC(=O)NCC(C)CC(C)O.
What is the InChIKey of N-[2-[(4-hydroxy-2-methylpentyl)amino]-2-oxoethyl]-2-methylbenzamide?
The InChIKey is IYPLHLMJMOYVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(8-13(3)19)9-17-15(20)10-18-16(21)14-7-5-4-6-12(14)2/h4-7,11,13,19H,8-10H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N-[2-[(4-hydroxy-2-methylpentyl)amino]-2-oxoethyl]-2-methylbenzamide?
N-[2-[(4-hydroxy-2-methylpentyl)amino]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.25, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-hydroxy-2-methylpentyl)amino]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 111662203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).