N-[1-hydroxy-2-(hydroxymethyl)-3-(2-hydroxy-5-octyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]acetamide

C23H37NO4 — CID 67247921

IUPACN-[1-hydroxy-2-(hydroxymethyl)-3-(2-hydroxy-5-octyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]acetamide
SMILESCCCCCCCCc1ccc2c(c1)CC(O)C2CC(CO)(CO)NC(C)=O
InChIInChI=1S/C23H37NO4/c1-3-4-5-6-7-8-9-18-10-11-20-19(12-18)13-22(28)21(20)14-23(15-25,16-26)24-17(2)27/h10-12,21-22,25-26,28H,3-9,13-16H2,1-2H3,(H,24,27)
InChIKeyCIGFNJYHWJJACC-UHFFFAOYSA-N
MW391.55 g/mol
LogP2.84
Rot. Bonds12

About N-[1-hydroxy-2-(hydroxymethyl)-3-(2-hydroxy-5-octyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]acetamide

N-[1-hydroxy-2-(hydroxymethyl)-3-(2-hydroxy-5-octyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]acetamide (PubChem CID 67247921) has the molecular formula C23H37NO4 and a molecular weight of 391.55 g/mol. Its IUPAC name is N-[1-hydroxy-2-(hydroxymethyl)-3-(2-hydroxy-5-octyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(hydroxymethyl)-3-(2-hydroxy-5-octyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]acetamide
PubChem CID67247921
Molecular FormulaC23H37NO4
Molecular Weight391.55 g/mol
Exact Mass391.27
IUPAC NameN-[1-hydroxy-2-(hydroxymethyl)-3-(2-hydroxy-5-octyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]acetamide
SMILESCCCCCCCCc1ccc2c(c1)CC(O)C2CC(CO)(CO)NC(C)=O
InChIInChI=1S/C23H37NO4/c1-3-4-5-6-7-8-9-18-10-11-20-19(12-18)13-22(28)21(20)14-23(15-25,16-26)24-17(2)27/h10-12,21-22,25-26,28H,3-9,13-16H2,1-2H3,(H,24,27)
InChIKeyCIGFNJYHWJJACC-UHFFFAOYSA-N
XLogP2.84
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.55
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[1-hydroxy-2-(hydroxymethyl)-3-(2-hydroxy-5-octyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]acetamide 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-[1,3-dihydroxy-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl]acetamide
CID 98052612
diethyl 2-acetamido-2-[(2S)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanedioate
CID 98052609
tert-butyl 3-[2-acetamido-3-hydroxy-2-(hydroxymethyl)propyl]-6-octylindole-1-carboxylate
CID 67247264
N-[4-[4-(8-fluorooctyl)phenyl]-1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 90219305
N-[1-hydroxy-2-(hydroxymethyl)octan-2-yl]acetamide
CID 90225692
2-amino-2-(2-octyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)propan-1-ol
CID 25018299
[2-acetamido-2-(acetyloxymethyl)-4-(4-octylphenyl)butyl] acetate;2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol;deuterium monohydride;methane
CID 163611538
2-[(2-octyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)amino]propane-1,3-diol
CID 67046349
1-(7-nonyl-9H-fluoren-2-yl)ethanone
CID 12721144
ethane;2-(methylamino)-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol
CID 144607941
(2S)-2-amino-2-[(7S)-3-octyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]propan-1-ol
CID 71098235
ethane;1-ethyl-3-octylbenzene;N-sulfanylacetamide
CID 143004513

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)-3-(2-hydroxy-5-octyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]acetamide?
The IUPAC name of N-[1-hydroxy-2-(hydroxymethyl)-3-(2-hydroxy-5-octyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]acetamide (CID 67247921) is N-[1-hydroxy-2-(hydroxymethyl)-3-(2-hydroxy-5-octyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for N-[1-hydroxy-2-(hydroxymethyl)-3-(2-hydroxy-5-octyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]acetamide?
The canonical SMILES for N-[1-hydroxy-2-(hydroxymethyl)-3-(2-hydroxy-5-octyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]acetamide is CCCCCCCCc1ccc2c(c1)CC(O)C2CC(CO)(CO)NC(C)=O.
What is the InChIKey of N-[1-hydroxy-2-(hydroxymethyl)-3-(2-hydroxy-5-octyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]acetamide?
The InChIKey is CIGFNJYHWJJACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37NO4/c1-3-4-5-6-7-8-9-18-10-11-20-19(12-18)13-22(28)21(20)14-23(15-25,16-26)24-17(2)27/h10-12,21-22,25-26,28H,3-9,13-16H2,1-2H3,(H,24,27).
What are the key properties of N-[1-hydroxy-2-(hydroxymethyl)-3-(2-hydroxy-5-octyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]acetamide?
N-[1-hydroxy-2-(hydroxymethyl)-3-(2-hydroxy-5-octyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]acetamide has a molecular weight of 391.55 g/mol, XLogP of 2.84, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(hydroxymethyl)-3-(2-hydroxy-5-octyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 67247921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).