N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide

C16H24N2O3 — CID 65112131

IUPACN-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide
SMILESCCC(O)(CC)CNC(=O)CNC(=O)c1cccc(C)c1
InChIInChI=1S/C16H24N2O3/c1-4-16(21,5-2)11-18-14(19)10-17-15(20)13-8-6-7-12(3)9-13/h6-9,21H,4-5,10-11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyJLVQLPIKEXJNPF-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.39
Rot. Bonds7

About N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide

N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide (PubChem CID 65112131) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide
PubChem CID65112131
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide
SMILESCCC(O)(CC)CNC(=O)CNC(=O)c1cccc(C)c1
InChIInChI=1S/C16H24N2O3/c1-4-16(21,5-2)11-18-14(19)10-17-15(20)13-8-6-7-12(3)9-13/h6-9,21H,4-5,10-11H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyJLVQLPIKEXJNPF-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoic acid
CID 66172158
N-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 103602596
N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3,5-difluorobenzamide
CID 111483465
3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111483358
3-methyl-N-[2-[(2-methyl-2-piperidin-1-ylpropyl)amino]-2-oxoethyl]benzamide
CID 51164327
N-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-3-methylbenzamide
CID 34675021
N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998
[2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 24980263
methyl 3-[[2-[(3-methylbenzoyl)amino]acetyl]amino]propanoate
CID 60637105
N-[2-(2-ethylanilino)-2-oxoethyl]-3-methylbenzamide
CID 8699091
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
3-methyl-N-phenacylbenzamide
CID 3417494

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide (CID 65112131) is N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide is CCC(O)(CC)CNC(=O)CNC(=O)c1cccc(C)c1.
What is the InChIKey of N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide?
The InChIKey is JLVQLPIKEXJNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-16(21,5-2)11-18-14(19)10-17-15(20)13-8-6-7-12(3)9-13/h6-9,21H,4-5,10-11H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide?
N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.39, 7 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]-2-oxoethyl]-3-methylbenzamide is sourced from PubChem (CID 65112131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).