2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexan-2-yl]carbamate

C16H32N2O6 — CID 153316173

IUPAC2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexan-2-yl]carbamate
SMILESCCOCCOC(=O)NCCCCC(C)NC(=O)OCCOCC
InChIInChI=1S/C16H32N2O6/c1-4-21-10-12-23-15(19)17-9-7-6-8-14(3)18-16(20)24-13-11-22-5-2/h14H,4-13H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyPJKWVPLEGFTUKS-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.07
Rot. Bonds14

About 2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexan-2-yl]carbamate

2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexan-2-yl]carbamate (PubChem CID 153316173) has the molecular formula C16H32N2O6 and a molecular weight of 348.44 g/mol. Its IUPAC name is 2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexan-2-yl]carbamate.

Molecular Properties

Compound Name2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexan-2-yl]carbamate
PubChem CID153316173
Molecular FormulaC16H32N2O6
Molecular Weight348.44 g/mol
Exact Mass348.23
IUPAC Name2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexan-2-yl]carbamate
SMILESCCOCCOC(=O)NCCCCC(C)NC(=O)OCCOCC
InChIInChI=1S/C16H32N2O6/c1-4-21-10-12-23-15(19)17-9-7-6-8-14(3)18-16(20)24-13-11-22-5-2/h14H,4-13H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyPJKWVPLEGFTUKS-UHFFFAOYSA-N
XLogP2.07
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(6-methylheptan-2-yl)carbamate
CID 60652004
ethyl (2S)-2,6-bis(3-aminopropoxycarbonylamino)hexanoate
CID 126603854
ethyl 2,6-bis(3-aminopropoxycarbonylamino)hexanoate
CID 126603912
2-hydroxyethyl N-(5-methylhexyl)carbamate
CID 115327389
6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]-N-[6-[[2-[2-(2-ethoxyethoxy)ethoxy]acetyl]amino]hexan-2-yl]-2-[3-[2-(2-ethoxyethoxy)ethoxy]prop-1-en-2-ylamino]hexanamide
CID 177221856
5-(ethoxycarbonylamino)hexanoic acid
CID 82855012
propan-2-yl N-(3-ethoxypropyl)carbamate
CID 116653800
2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate
CID 14782678
ethyl N-[8-(ethoxycarbonylamino)-2,2-dimethyloctan-4-yl]carbamate
CID 158492802
methylamino 2,6-bis(ethoxycarbonylamino)hexanoate
CID 121420951
[5-methyl-6-(tetradecylcarbamoyloxy)hexyl] N-tetradecylcarbamate
CID 58283700
ethyl N-(4,4-dihydroxybutyl)carbamate
CID 87555159

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexan-2-yl]carbamate?
The IUPAC name of 2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexan-2-yl]carbamate (CID 153316173) is 2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexan-2-yl]carbamate.
What is the SMILES notation for 2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexan-2-yl]carbamate?
The canonical SMILES for 2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexan-2-yl]carbamate is CCOCCOC(=O)NCCCCC(C)NC(=O)OCCOCC.
What is the InChIKey of 2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexan-2-yl]carbamate?
The InChIKey is PJKWVPLEGFTUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O6/c1-4-21-10-12-23-15(19)17-9-7-6-8-14(3)18-16(20)24-13-11-22-5-2/h14H,4-13H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexan-2-yl]carbamate?
2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexan-2-yl]carbamate has a molecular weight of 348.44 g/mol, XLogP of 2.07, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexan-2-yl]carbamate is sourced from PubChem (CID 153316173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).