tert-butyl N-nonan-4-yl-N-(2-oxoethyl)carbamate

C16H31NO3 — CID 175449353

IUPACtert-butyl N-nonan-4-yl-N-(2-oxoethyl)carbamate
SMILESCCCCCC(CCC)N(CC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO3/c1-6-8-9-11-14(10-7-2)17(12-13-18)15(19)20-16(3,4)5/h13-14H,6-12H2,1-5H3
InChIKeyJCQBPFNDAFOPSS-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.17
Rot. Bonds9

About tert-butyl N-nonan-4-yl-N-(2-oxoethyl)carbamate

tert-butyl N-nonan-4-yl-N-(2-oxoethyl)carbamate (PubChem CID 175449353) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl N-nonan-4-yl-N-(2-oxoethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-nonan-4-yl-N-(2-oxoethyl)carbamate
PubChem CID175449353
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Nametert-butyl N-nonan-4-yl-N-(2-oxoethyl)carbamate
SMILESCCCCCC(CCC)N(CC=O)C(=O)OC(C)(C)C
InChIInChI=1S/C16H31NO3/c1-6-8-9-11-14(10-7-2)17(12-13-18)15(19)20-16(3,4)5/h13-14H,6-12H2,1-5H3
InChIKeyJCQBPFNDAFOPSS-UHFFFAOYSA-N
XLogP4.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-nonan-4-yl-N-(2-oxoethyl)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

tert-butyl N-amino-N-nonan-3-ylcarbamate
CID 175727450
tert-butyl N-[2-(octylamino)ethyl]-N-propan-2-ylcarbamate
CID 107245800
tert-butyl 2-propyldecanoate
CID 141018568
tert-butyl N-methyl-N-[(2R)-1-oxopentan-2-yl]carbamate
CID 143576868
tert-butyl N-hex-1-en-3-yl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 14143447
tert-butyl N-(2-hydroxypropyl)-N-pentan-2-ylcarbamate
CID 162438546
tert-butyl N-butyl-N-hex-5-en-2-ylcarbamate
CID 10355020
tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 89457667
tert-butyl N,N-dipentylcarbamate
CID 65142743
tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate
CID 105468762
tert-butyl (2R)-2-bromoundecanoate
CID 139709166
tert-butyl N-[2-[[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]methyl]nonyl]-N-pentylcarbamate
CID 142044544

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-nonan-4-yl-N-(2-oxoethyl)carbamate?
The IUPAC name of tert-butyl N-nonan-4-yl-N-(2-oxoethyl)carbamate (CID 175449353) is tert-butyl N-nonan-4-yl-N-(2-oxoethyl)carbamate.
What is the SMILES notation for tert-butyl N-nonan-4-yl-N-(2-oxoethyl)carbamate?
The canonical SMILES for tert-butyl N-nonan-4-yl-N-(2-oxoethyl)carbamate is CCCCCC(CCC)N(CC=O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-nonan-4-yl-N-(2-oxoethyl)carbamate?
The InChIKey is JCQBPFNDAFOPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-6-8-9-11-14(10-7-2)17(12-13-18)15(19)20-16(3,4)5/h13-14H,6-12H2,1-5H3.
What are the key properties of tert-butyl N-nonan-4-yl-N-(2-oxoethyl)carbamate?
tert-butyl N-nonan-4-yl-N-(2-oxoethyl)carbamate has a molecular weight of 285.43 g/mol, XLogP of 4.17, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-nonan-4-yl-N-(2-oxoethyl)carbamate is sourced from PubChem (CID 175449353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).