2,3,6-trimethylheptan-4-yl N-(2-hydroxyphenyl)carbamate

C17H27NO3 — CID 129206856

IUPAC2,3,6-trimethylheptan-4-yl N-(2-hydroxyphenyl)carbamate
SMILESCC(C)CC(OC(=O)Nc1ccccc1O)C(C)C(C)C
InChIInChI=1S/C17H27NO3/c1-11(2)10-16(13(5)12(3)4)21-17(20)18-14-8-6-7-9-15(14)19/h6-9,11-13,16,19H,10H2,1-5H3,(H,18,20)
InChIKeyQFOCZESBEOQHQT-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.65
Rot. Bonds6

About 2,3,6-trimethylheptan-4-yl N-(2-hydroxyphenyl)carbamate

2,3,6-trimethylheptan-4-yl N-(2-hydroxyphenyl)carbamate (PubChem CID 129206856) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2,3,6-trimethylheptan-4-yl N-(2-hydroxyphenyl)carbamate.

Molecular Properties

Compound Name2,3,6-trimethylheptan-4-yl N-(2-hydroxyphenyl)carbamate
PubChem CID129206856
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2,3,6-trimethylheptan-4-yl N-(2-hydroxyphenyl)carbamate
SMILESCC(C)CC(OC(=O)Nc1ccccc1O)C(C)C(C)C
InChIInChI=1S/C17H27NO3/c1-11(2)10-16(13(5)12(3)4)21-17(20)18-14-8-6-7-9-15(14)19/h6-9,11-13,16,19H,10H2,1-5H3,(H,18,20)
InChIKeyQFOCZESBEOQHQT-UHFFFAOYSA-N
XLogP4.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,3,6-trimethylheptan-4-yl N-(2-hydroxyphenyl)carbamate 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

methyl N-(2-hydroxyphenyl)carbamate
CID 819280
2-bromo-N-(2-hydroxyphenyl)-4-methylpentanamide
CID 119094650
2-ethyl-N-(2-hydroxyphenyl)-4-methylpentanamide
CID 135170128
N-(2-hydroxyphenyl)-2-(2-methylpropoxy)acetamide
CID 143482157
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
2-hydroxy-N-(2-hydroxyphenyl)propanamide
CID 83768320
2-bromo-N-(2-hydroxyphenyl)-3-methylbutanamide
CID 14234666
N-(2-hydroxyphenyl)-N'-propan-2-yloxamide
CID 108503255
propan-2-yl N-(2-methoxyphenyl)carbamate
CID 5047637
1,3,4-trihydroxybutan-2-yl N-naphthalen-1-ylcarbamate
CID 67868291
2-methylpropyl N-(2-aminophenyl)carbamate
CID 43185966
N-(2-hydroxyphenyl)-3-(2-methylpropylsulfonyl)propanamide
CID 47038208

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethylheptan-4-yl N-(2-hydroxyphenyl)carbamate?
The IUPAC name of 2,3,6-trimethylheptan-4-yl N-(2-hydroxyphenyl)carbamate (CID 129206856) is 2,3,6-trimethylheptan-4-yl N-(2-hydroxyphenyl)carbamate.
What is the SMILES notation for 2,3,6-trimethylheptan-4-yl N-(2-hydroxyphenyl)carbamate?
The canonical SMILES for 2,3,6-trimethylheptan-4-yl N-(2-hydroxyphenyl)carbamate is CC(C)CC(OC(=O)Nc1ccccc1O)C(C)C(C)C.
What is the InChIKey of 2,3,6-trimethylheptan-4-yl N-(2-hydroxyphenyl)carbamate?
The InChIKey is QFOCZESBEOQHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-11(2)10-16(13(5)12(3)4)21-17(20)18-14-8-6-7-9-15(14)19/h6-9,11-13,16,19H,10H2,1-5H3,(H,18,20).
What are the key properties of 2,3,6-trimethylheptan-4-yl N-(2-hydroxyphenyl)carbamate?
2,3,6-trimethylheptan-4-yl N-(2-hydroxyphenyl)carbamate has a molecular weight of 293.41 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethylheptan-4-yl N-(2-hydroxyphenyl)carbamate is sourced from PubChem (CID 129206856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).