N-benzyl-2-ethyl-8-hydroxy-6-methyl-7-oxooctanamide

C18H27NO3 — CID 164954061

IUPACN-benzyl-2-ethyl-8-hydroxy-6-methyl-7-oxooctanamide
SMILESCCC(CCCC(C)C(=O)CO)C(=O)NCc1ccccc1
InChIInChI=1S/C18H27NO3/c1-3-16(11-7-8-14(2)17(21)13-20)18(22)19-12-15-9-5-4-6-10-15/h4-6,9-10,14,16,20H,3,7-8,11-13H2,1-2H3,(H,19,22)
InChIKeyRKFFDCUVOPHZSQ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.70
Rot. Bonds10

About N-benzyl-2-ethyl-8-hydroxy-6-methyl-7-oxooctanamide

N-benzyl-2-ethyl-8-hydroxy-6-methyl-7-oxooctanamide (PubChem CID 164954061) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-benzyl-2-ethyl-8-hydroxy-6-methyl-7-oxooctanamide.

Molecular Properties

Compound NameN-benzyl-2-ethyl-8-hydroxy-6-methyl-7-oxooctanamide
PubChem CID164954061
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC NameN-benzyl-2-ethyl-8-hydroxy-6-methyl-7-oxooctanamide
SMILESCCC(CCCC(C)C(=O)CO)C(=O)NCc1ccccc1
InChIInChI=1S/C18H27NO3/c1-3-16(11-7-8-14(2)17(21)13-20)18(22)19-12-15-9-5-4-6-10-15/h4-6,9-10,14,16,20H,3,7-8,11-13H2,1-2H3,(H,19,22)
InChIKeyRKFFDCUVOPHZSQ-UHFFFAOYSA-N
XLogP2.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-ethyl-8-hydroxy-6-methyl-7-oxooctanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(cyclohexylmethyl)-2-ethyl-6-(6-hydroxy-4-methyl-5-oxohexyl)-N-phenylheptanediamide
CID 165069723
N-benzyl-4-(2-ethylhexanoylamino)benzamide
CID 546715
2-ethyl-N-(pyridin-4-ylmethyl)hexanamide
CID 3492228
N-[[4-(chloromethyl)phenyl]methyl]-2-ethylhexanamide
CID 107233438
N-benzyl-2-methylpropanamide;methane
CID 160760567
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
CID 12051861
N-benzyl-2-hydroxypentanamide
CID 141058656
N-benzyl-2-phenylsulfanylbutanamide
CID 86913040
N-benzyl-2-hydroxypentanamide;ethane
CID 168939873
2-amino-N-benzylpentanamide
CID 11020044
1-N,1-N,3-N,3-N-tetrabenzyl-2-propylpropane-1,1,3,3-tetracarboxamide
CID 3942749
(2R)-N-(3,3-diphenylpropyl)-2-ethylhexanamide
CID 7112392

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-ethyl-8-hydroxy-6-methyl-7-oxooctanamide?
The IUPAC name of N-benzyl-2-ethyl-8-hydroxy-6-methyl-7-oxooctanamide (CID 164954061) is N-benzyl-2-ethyl-8-hydroxy-6-methyl-7-oxooctanamide.
What is the SMILES notation for N-benzyl-2-ethyl-8-hydroxy-6-methyl-7-oxooctanamide?
The canonical SMILES for N-benzyl-2-ethyl-8-hydroxy-6-methyl-7-oxooctanamide is CCC(CCCC(C)C(=O)CO)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-ethyl-8-hydroxy-6-methyl-7-oxooctanamide?
The InChIKey is RKFFDCUVOPHZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-3-16(11-7-8-14(2)17(21)13-20)18(22)19-12-15-9-5-4-6-10-15/h4-6,9-10,14,16,20H,3,7-8,11-13H2,1-2H3,(H,19,22).
What are the key properties of N-benzyl-2-ethyl-8-hydroxy-6-methyl-7-oxooctanamide?
N-benzyl-2-ethyl-8-hydroxy-6-methyl-7-oxooctanamide has a molecular weight of 305.42 g/mol, XLogP of 2.70, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-ethyl-8-hydroxy-6-methyl-7-oxooctanamide is sourced from PubChem (CID 164954061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).