N-[1,3-dihydroxy-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl]acetamide

C23H37NO3 — CID 98052612

IUPACN-[1,3-dihydroxy-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl]acetamide
SMILESCCCCCCCCc1ccc2c(c1)CC[C@@H](C(CO)(CO)NC(C)=O)C2
InChIInChI=1S/C23H37NO3/c1-3-4-5-6-7-8-9-19-10-11-21-15-22(13-12-20(21)14-19)23(16-25,17-26)24-18(2)27/h10-11,14,22,25-26H,3-9,12-13,15-17H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyQGEYCNBEQMCZFK-JOCHJYFZSA-N
MW375.55 g/mol
LogP3.55
Rot. Bonds11

About N-[1,3-dihydroxy-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl]acetamide

N-[1,3-dihydroxy-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl]acetamide (PubChem CID 98052612) has the molecular formula C23H37NO3 and a molecular weight of 375.55 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl]acetamide
PubChem CID98052612
Molecular FormulaC23H37NO3
Molecular Weight375.55 g/mol
Exact Mass375.28
IUPAC NameN-[1,3-dihydroxy-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl]acetamide
SMILESCCCCCCCCc1ccc2c(c1)CC[C@@H](C(CO)(CO)NC(C)=O)C2
InChIInChI=1S/C23H37NO3/c1-3-4-5-6-7-8-9-19-10-11-21-15-22(13-12-20(21)14-19)23(16-25,17-26)24-18(2)27/h10-11,14,22,25-26H,3-9,12-13,15-17H2,1-2H3,(H,24,27)/t22-/m1/s1
InChIKeyQGEYCNBEQMCZFK-JOCHJYFZSA-N
XLogP3.55
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.55
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1,3-dihydroxy-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl]acetamide with MolForge

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Related Compounds

diethyl 2-acetamido-2-[(2S)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanedioate
CID 98052609
2-amino-2-(2-octyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)propan-1-ol
CID 25018299
(2S)-2-amino-2-[(7S)-3-octyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl]propan-1-ol
CID 71098235
[2-amino-3-hydroxy-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propoxy]-trihydroxyphosphanium
CID 70846424
[(2S)-2-amino-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propyl] dihydrogen phosphate
CID 25192006
2-[(2-octyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)amino]propane-1,3-diol
CID 67046349
N-[1-hydroxy-2-(hydroxymethyl)-3-(2-hydroxy-5-octyl-2,3-dihydro-1H-inden-1-yl)propan-2-yl]acetamide
CID 67247921
2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-6-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139849248
2-[(6R,8aR)-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-6-pentyl-1,2,3,4-tetrahydronaphthalene
CID 20808644
(2S)-2-amino-2-[(2R)-6-heptoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propan-1-ol
CID 71030338
2-(2,6-difluoro-4-heptylphenyl)-6-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139849618
6-butyl-2-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139849747

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl]acetamide?
The IUPAC name of N-[1,3-dihydroxy-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl]acetamide (CID 98052612) is N-[1,3-dihydroxy-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[1,3-dihydroxy-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl]acetamide is CCCCCCCCc1ccc2c(c1)CC[C@@H](C(CO)(CO)NC(C)=O)C2.
What is the InChIKey of N-[1,3-dihydroxy-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl]acetamide?
The InChIKey is QGEYCNBEQMCZFK-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H37NO3/c1-3-4-5-6-7-8-9-19-10-11-21-15-22(13-12-20(21)14-19)23(16-25,17-26)24-18(2)27/h10-11,14,22,25-26H,3-9,12-13,15-17H2,1-2H3,(H,24,27)/t22-/m1/s1.
What are the key properties of N-[1,3-dihydroxy-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl]acetamide?
N-[1,3-dihydroxy-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl]acetamide has a molecular weight of 375.55 g/mol, XLogP of 3.55, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-[(2R)-6-octyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-yl]acetamide is sourced from PubChem (CID 98052612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).