nonyl N-(4-hydroxy-6-methylheptyl)carbamate

C18H37NO3 — CID 145330578

IUPACnonyl N-(4-hydroxy-6-methylheptyl)carbamate
SMILESCCCCCCCCCOC(=O)NCCCC(O)CC(C)C
InChIInChI=1S/C18H37NO3/c1-4-5-6-7-8-9-10-14-22-18(21)19-13-11-12-17(20)15-16(2)3/h16-17,20H,4-15H2,1-3H3,(H,19,21)
InChIKeyXHYZKZCKFMVSJT-UHFFFAOYSA-N
MW315.50 g/mol
LogP4.65
Rot. Bonds14

About nonyl N-(4-hydroxy-6-methylheptyl)carbamate

nonyl N-(4-hydroxy-6-methylheptyl)carbamate (PubChem CID 145330578) has the molecular formula C18H37NO3 and a molecular weight of 315.50 g/mol. Its IUPAC name is nonyl N-(4-hydroxy-6-methylheptyl)carbamate.

Molecular Properties

Compound Namenonyl N-(4-hydroxy-6-methylheptyl)carbamate
PubChem CID145330578
Molecular FormulaC18H37NO3
Molecular Weight315.50 g/mol
Exact Mass315.28
IUPAC Namenonyl N-(4-hydroxy-6-methylheptyl)carbamate
SMILESCCCCCCCCCOC(=O)NCCCC(O)CC(C)C
InChIInChI=1S/C18H37NO3/c1-4-5-6-7-8-9-10-14-22-18(21)19-13-11-12-17(20)15-16(2)3/h16-17,20H,4-15H2,1-3H3,(H,19,21)
InChIKeyXHYZKZCKFMVSJT-UHFFFAOYSA-N
XLogP4.65
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze nonyl N-(4-hydroxy-6-methylheptyl)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

undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
azane;octyl N-octylcarbamate
CID 175531380
[5-methyl-6-(tetradecylcarbamoyloxy)hexyl] N-tetradecylcarbamate
CID 58283700
octadecyl N-propylcarbamate
CID 175015942
2-(hexoxycarbonylamino)ethyl 2-methylpentanoate
CID 145312831
5-(butoxycarbonylamino)-2-methylpentanoic acid
CID 87521921
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
undecyl 4-(2-methylpropoxycarbonylamino)butanoate
CID 91718537
octadec-9-enyl N-butylcarbamate
CID 91581457

Frequently Asked Questions

What is the IUPAC name of nonyl N-(4-hydroxy-6-methylheptyl)carbamate?
The IUPAC name of nonyl N-(4-hydroxy-6-methylheptyl)carbamate (CID 145330578) is nonyl N-(4-hydroxy-6-methylheptyl)carbamate.
What is the SMILES notation for nonyl N-(4-hydroxy-6-methylheptyl)carbamate?
The canonical SMILES for nonyl N-(4-hydroxy-6-methylheptyl)carbamate is CCCCCCCCCOC(=O)NCCCC(O)CC(C)C.
What is the InChIKey of nonyl N-(4-hydroxy-6-methylheptyl)carbamate?
The InChIKey is XHYZKZCKFMVSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO3/c1-4-5-6-7-8-9-10-14-22-18(21)19-13-11-12-17(20)15-16(2)3/h16-17,20H,4-15H2,1-3H3,(H,19,21).
What are the key properties of nonyl N-(4-hydroxy-6-methylheptyl)carbamate?
nonyl N-(4-hydroxy-6-methylheptyl)carbamate has a molecular weight of 315.50 g/mol, XLogP of 4.65, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl N-(4-hydroxy-6-methylheptyl)carbamate is sourced from PubChem (CID 145330578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).