N-[3-hydroxy-3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propyl]acetamide

C19H29NO3 — CID 130372959

IUPACN-[3-hydroxy-3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propyl]acetamide
SMILESCC(=O)NCCC(O)c1cccc(OCC2(C)CCCCC2)c1
InChIInChI=1S/C19H29NO3/c1-15(21)20-12-9-18(22)16-7-6-8-17(13-16)23-14-19(2)10-4-3-5-11-19/h6-8,13,18,22H,3-5,9-12,14H2,1-2H3,(H,20,21)
InChIKeyOWOBMOHWYHWJSN-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.60
Rot. Bonds7

About N-[3-hydroxy-3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propyl]acetamide

N-[3-hydroxy-3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propyl]acetamide (PubChem CID 130372959) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-[3-hydroxy-3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-hydroxy-3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propyl]acetamide
PubChem CID130372959
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC NameN-[3-hydroxy-3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propyl]acetamide
SMILESCC(=O)NCCC(O)c1cccc(OCC2(C)CCCCC2)c1
InChIInChI=1S/C19H29NO3/c1-15(21)20-12-9-18(22)16-7-6-8-17(13-16)23-14-19(2)10-4-3-5-11-19/h6-8,13,18,22H,3-5,9-12,14H2,1-2H3,(H,20,21)
InChIKeyOWOBMOHWYHWJSN-UHFFFAOYSA-N
XLogP3.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-hydroxy-3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propyl]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

1-[[3-(3-amino-1-hydroxypropyl)phenoxy]methyl]cyclobutan-1-ol
CID 130373177
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
1-[[3-[(1S)-1-hydroxyethyl]phenoxy]methyl]cyclopentan-1-ol
CID 65212811
1-[[3-(1-aminoethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65208420
1-[[3-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208480
N-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide
CID 20567171
1-[[3-[1-(ethylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208482
1-[(2S)-2-[[3-[(1R)-1-hydroxy-3-(methylamino)propyl]phenoxy]methyl]pyrrolidin-1-yl]ethanone
CID 122485220
1-(3-methoxyphenyl)-2-[(1-methylcyclohexyl)amino]ethanol
CID 81133448
tert-butyl N-[(3R)-3-hydroxy-3-[3-(thian-3-ylmethoxy)phenyl]propyl]carbamate
CID 131733435
tert-butyl 2-[[3-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenoxy]methyl]pyrrole-1-carboxylate
CID 90406196
3-amino-1-(3-ethoxyphenyl)propan-1-ol
CID 79135598

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propyl]acetamide?
The IUPAC name of N-[3-hydroxy-3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propyl]acetamide (CID 130372959) is N-[3-hydroxy-3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propyl]acetamide.
What is the SMILES notation for N-[3-hydroxy-3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propyl]acetamide?
The canonical SMILES for N-[3-hydroxy-3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propyl]acetamide is CC(=O)NCCC(O)c1cccc(OCC2(C)CCCCC2)c1.
What is the InChIKey of N-[3-hydroxy-3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propyl]acetamide?
The InChIKey is OWOBMOHWYHWJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-15(21)20-12-9-18(22)16-7-6-8-17(13-16)23-14-19(2)10-4-3-5-11-19/h6-8,13,18,22H,3-5,9-12,14H2,1-2H3,(H,20,21).
What are the key properties of N-[3-hydroxy-3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propyl]acetamide?
N-[3-hydroxy-3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propyl]acetamide has a molecular weight of 319.45 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-3-[3-[(1-methylcyclohexyl)methoxy]phenyl]propyl]acetamide is sourced from PubChem (CID 130372959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).