octyl N,N-di(nonyl)carbamate

C27H55NO2 — CID 168918776

IUPACoctyl N,N-di(nonyl)carbamate
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)OCCCCCCCC
InChIInChI=1S/C27H55NO2/c1-4-7-10-13-16-18-21-24-28(25-22-19-17-14-11-8-5-2)27(29)30-26-23-20-15-12-9-6-3/h4-26H2,1-3H3
InChIKeySCBWCZLMWWSWEE-UHFFFAOYSA-N
MW425.74 g/mol
LogP9.29
Rot. Bonds23

About octyl N,N-di(nonyl)carbamate

octyl N,N-di(nonyl)carbamate (PubChem CID 168918776) has the molecular formula C27H55NO2 and a molecular weight of 425.74 g/mol. Its IUPAC name is octyl N,N-di(nonyl)carbamate.

Molecular Properties

Compound Nameoctyl N,N-di(nonyl)carbamate
PubChem CID168918776
Molecular FormulaC27H55NO2
Molecular Weight425.74 g/mol
Exact Mass425.42
IUPAC Nameoctyl N,N-di(nonyl)carbamate
SMILESCCCCCCCCCN(CCCCCCCCC)C(=O)OCCCCCCCC
InChIInChI=1S/C27H55NO2/c1-4-7-10-13-16-18-21-24-28(25-22-19-17-14-11-8-5-2)27(29)30-26-23-20-15-12-9-6-3/h4-26H2,1-3H3
InChIKeySCBWCZLMWWSWEE-UHFFFAOYSA-N
XLogP9.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.74
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze octyl N,N-di(nonyl)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

octyl N,N-di(undecyl)carbamate
CID 168918683
propyl N,N-diheptylcarbamate
CID 168918832
ethyl N,N-didodecylcarbamate
CID 70629624
ethyl N-[6-[ethoxycarbonyl(octyl)amino]hexyl]-N-octylcarbamate
CID 23053337
ethyl N,N-di(heptadecyl)carbamate
CID 70629745
2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate
CID 57213221
chloromethyl N,N-di(pentadecyl)carbamate
CID 177225188
undecyl N-methyl-N-pentylcarbamate
CID 54297307
3-(dimethylamino)propyl N,N-bis(octadec-9-enyl)carbamate
CID 123568767
4-hydroxybutyl N,N-bis[(9Z,12Z)-octadeca-9,12-dienyl]carbamate
CID 118057450
hexyl N-[2-[hexoxycarbonyl-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]amino]ethyl]-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]carbamate
CID 150139824
hexyl N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-N-[5-[(2,2,2-trifluoroacetyl)amino]pentyl]carbamate
CID 162211687

Frequently Asked Questions

What is the IUPAC name of octyl N,N-di(nonyl)carbamate?
The IUPAC name of octyl N,N-di(nonyl)carbamate (CID 168918776) is octyl N,N-di(nonyl)carbamate.
What is the SMILES notation for octyl N,N-di(nonyl)carbamate?
The canonical SMILES for octyl N,N-di(nonyl)carbamate is CCCCCCCCCN(CCCCCCCCC)C(=O)OCCCCCCCC.
What is the InChIKey of octyl N,N-di(nonyl)carbamate?
The InChIKey is SCBWCZLMWWSWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H55NO2/c1-4-7-10-13-16-18-21-24-28(25-22-19-17-14-11-8-5-2)27(29)30-26-23-20-15-12-9-6-3/h4-26H2,1-3H3.
What are the key properties of octyl N,N-di(nonyl)carbamate?
octyl N,N-di(nonyl)carbamate has a molecular weight of 425.74 g/mol, XLogP of 9.29, 23 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N,N-di(nonyl)carbamate is sourced from PubChem (CID 168918776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).