[4-hydroxy-3-(3-methoxyphenyl)heptyl] N-tert-butylcarbamate

C19H31NO4 — CID 170945321

IUPAC[4-hydroxy-3-(3-methoxyphenyl)heptyl] N-tert-butylcarbamate
SMILESCCCC(O)C(CCOC(=O)NC(C)(C)C)c1cccc(OC)c1
InChIInChI=1S/C19H31NO4/c1-6-8-17(21)16(14-9-7-10-15(13-14)23-5)11-12-24-18(22)20-19(2,3)4/h7,9-10,13,16-17,21H,6,8,11-12H2,1-5H3,(H,20,22)
InChIKeyVVLYIFJLUHZONA-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.85
Rot. Bonds8

About [4-hydroxy-3-(3-methoxyphenyl)heptyl] N-tert-butylcarbamate

[4-hydroxy-3-(3-methoxyphenyl)heptyl] N-tert-butylcarbamate (PubChem CID 170945321) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is [4-hydroxy-3-(3-methoxyphenyl)heptyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[4-hydroxy-3-(3-methoxyphenyl)heptyl] N-tert-butylcarbamate
PubChem CID170945321
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC Name[4-hydroxy-3-(3-methoxyphenyl)heptyl] N-tert-butylcarbamate
SMILESCCCC(O)C(CCOC(=O)NC(C)(C)C)c1cccc(OC)c1
InChIInChI=1S/C19H31NO4/c1-6-8-17(21)16(14-9-7-10-15(13-14)23-5)11-12-24-18(22)20-19(2,3)4/h7,9-10,13,16-17,21H,6,8,11-12H2,1-5H3,(H,20,22)
InChIKeyVVLYIFJLUHZONA-UHFFFAOYSA-N
XLogP3.85
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-hydroxy-3-(3-methoxyphenyl)heptyl] N-tert-butylcarbamate 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-methoxyphenyl)butan-1-ol
CID 2793894
N-tert-butyl-2-[1-(3-methoxyphenyl)ethylamino]propanamide
CID 115588995
methyl (2R,3R)-3-(3-methoxyphenyl)-2-methylpentanoate
CID 67298001
(1R,2S)-2-amino-1-(3-methoxyphenyl)pentan-1-ol;hydrochloride
CID 66812884
N-tert-butyl-3-[1-(3-methoxyphenyl)ethylamino]propanamide
CID 115676858
[(2R)-2-hydroxy-2-(3-methoxyphenyl)ethyl] 2,2-dimethylpropanoate
CID 135065936
3-(4-aminophenyl)butyl N-tert-butylcarbamate
CID 175312760
4-amino-1,1,1-trifluoro-3-(3-methoxyphenyl)butan-2-ol
CID 65189932
2-ethyl-3-(3-methoxyphenyl)hexan-1-amine
CID 142251064
1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
CID 63892362
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
methyl 3-methoxy-2-(3-methoxyphenyl)propanoate
CID 117243532

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-3-(3-methoxyphenyl)heptyl] N-tert-butylcarbamate?
The IUPAC name of [4-hydroxy-3-(3-methoxyphenyl)heptyl] N-tert-butylcarbamate (CID 170945321) is [4-hydroxy-3-(3-methoxyphenyl)heptyl] N-tert-butylcarbamate.
What is the SMILES notation for [4-hydroxy-3-(3-methoxyphenyl)heptyl] N-tert-butylcarbamate?
The canonical SMILES for [4-hydroxy-3-(3-methoxyphenyl)heptyl] N-tert-butylcarbamate is CCCC(O)C(CCOC(=O)NC(C)(C)C)c1cccc(OC)c1.
What is the InChIKey of [4-hydroxy-3-(3-methoxyphenyl)heptyl] N-tert-butylcarbamate?
The InChIKey is VVLYIFJLUHZONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO4/c1-6-8-17(21)16(14-9-7-10-15(13-14)23-5)11-12-24-18(22)20-19(2,3)4/h7,9-10,13,16-17,21H,6,8,11-12H2,1-5H3,(H,20,22).
What are the key properties of [4-hydroxy-3-(3-methoxyphenyl)heptyl] N-tert-butylcarbamate?
[4-hydroxy-3-(3-methoxyphenyl)heptyl] N-tert-butylcarbamate has a molecular weight of 337.46 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-3-(3-methoxyphenyl)heptyl] N-tert-butylcarbamate is sourced from PubChem (CID 170945321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).