2-(2-chloroethoxy)ethyl N-(1-adamantyl)carbamate

C15H24ClNO3 — CID 103970598

IUPAC2-(2-chloroethoxy)ethyl N-(1-adamantyl)carbamate
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)OCCOCCCl
InChIInChI=1S/C15H24ClNO3/c16-1-2-19-3-4-20-14(18)17-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10H2,(H,17,18)
InChIKeyASNILVAJKQOJJP-UHFFFAOYSA-N
MW301.81 g/mol
LogP2.94
Rot. Bonds6

About 2-(2-chloroethoxy)ethyl N-(1-adamantyl)carbamate

2-(2-chloroethoxy)ethyl N-(1-adamantyl)carbamate (PubChem CID 103970598) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 2-(2-chloroethoxy)ethyl N-(1-adamantyl)carbamate.

Molecular Properties

Compound Name2-(2-chloroethoxy)ethyl N-(1-adamantyl)carbamate
PubChem CID103970598
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name2-(2-chloroethoxy)ethyl N-(1-adamantyl)carbamate
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)OCCOCCCl
InChIInChI=1S/C15H24ClNO3/c16-1-2-19-3-4-20-14(18)17-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10H2,(H,17,18)
InChIKeyASNILVAJKQOJJP-UHFFFAOYSA-N
XLogP2.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-adamantyl)-3-[2-(2-aminoethoxy)ethyl]urea
CID 63766148
[2-[2-(1-adamantylcarbamoyloxy)ethyl]phenyl]azanium chloride
CID 156612638
2-(1-adamantylcarbamoyloxy)ethyl-phenylazanium
CID 7060496
4-(1-adamantylcarbamoyloxy)-1,1-difluorobutane-1-sulfonic acid
CID 59602647
2-[2-[2-[2-(1-adamantyl)acetyl]oxyethoxy]-3-[2-[2-(1-adamantylcarbamoyloxy)ethoxy]-3-[2-[2-(1-adamantylcarbamoyloxy)ethoxy]-3-[2-[2-(1-adamantylcarbamoyloxy)ethoxy]propoxy]propoxy]propoxy]propoxy]ethyl 2-(1-adamantyl)acetate
CID 162029789
10-(1-adamantylcarbamoyloxy)-1,1-difluorodecane-1-sulfonic acid
CID 59602623
11-(1-adamantylcarbamoyloxy)-1,1-difluoroundecane-1-sulfonate
CID 59602613
[4-(1-adamantylcarbamoyloxy)phenyl] N-(1-adamantyl)carbamate
CID 118586680
2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
CID 67323372
2-(2-chloroethoxy)ethyl methyl carbonate
CID 103970602
1-(1-adamantyl)-3-[6-[2-(2-ethoxyethoxy)ethoxy]hexyl]urea
CID 59168740
3,7,11-trimethyldodeca-2,6,10-trienyl N-(1-adamantyl)carbamate
CID 78164768

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethoxy)ethyl N-(1-adamantyl)carbamate?
The IUPAC name of 2-(2-chloroethoxy)ethyl N-(1-adamantyl)carbamate (CID 103970598) is 2-(2-chloroethoxy)ethyl N-(1-adamantyl)carbamate.
What is the SMILES notation for 2-(2-chloroethoxy)ethyl N-(1-adamantyl)carbamate?
The canonical SMILES for 2-(2-chloroethoxy)ethyl N-(1-adamantyl)carbamate is O=C(NC12CC3CC(CC(C3)C1)C2)OCCOCCCl.
What is the InChIKey of 2-(2-chloroethoxy)ethyl N-(1-adamantyl)carbamate?
The InChIKey is ASNILVAJKQOJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO3/c16-1-2-19-3-4-20-14(18)17-15-8-11-5-12(9-15)7-13(6-11)10-15/h11-13H,1-10H2,(H,17,18).
What are the key properties of 2-(2-chloroethoxy)ethyl N-(1-adamantyl)carbamate?
2-(2-chloroethoxy)ethyl N-(1-adamantyl)carbamate has a molecular weight of 301.81 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethoxy)ethyl N-(1-adamantyl)carbamate is sourced from PubChem (CID 103970598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).