ethyl N-(2-propan-2-yloxyethyl)carbamate

C8H17NO3 — CID 14496147

IUPACethyl N-(2-propan-2-yloxyethyl)carbamate
SMILESCCOC(=O)NCCOC(C)C
InChIInChI=1S/C8H17NO3/c1-4-11-8(10)9-5-6-12-7(2)3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyCLCSDISYGGXOOL-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.16
Rot. Bonds5

About ethyl N-(2-propan-2-yloxyethyl)carbamate

ethyl N-(2-propan-2-yloxyethyl)carbamate (PubChem CID 14496147) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is ethyl N-(2-propan-2-yloxyethyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-propan-2-yloxyethyl)carbamate
PubChem CID14496147
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Nameethyl N-(2-propan-2-yloxyethyl)carbamate
SMILESCCOC(=O)NCCOC(C)C
InChIInChI=1S/C8H17NO3/c1-4-11-8(10)9-5-6-12-7(2)3/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyCLCSDISYGGXOOL-UHFFFAOYSA-N
XLogP1.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yloxyethylurea
CID 22179539
ethyl N-[2-(ethoxycarbonylamino)ethoxy]carbamate
CID 71777323
2-(ethoxycarbonylamino)ethyl methanesulfonate
CID 19775872
propyl N-(4-propan-2-yloxybutyl)carbamate
CID 149467433
ethyl N-propylcarbamate
CID 12199
(2R)-2-amino-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761131
ethane;ethyl N-(2-propoxyethyl)carbamate
CID 167457488
2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide
CID 104759858
[(2R)-2,3-di(tetradecoxy)propyl] N-(2-propan-2-yloxyethyl)carbamate
CID 134312281
2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759851
ethyl N-[2-(methylamino)ethyl]carbamate
CID 20763174
2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761678

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-propan-2-yloxyethyl)carbamate?
The IUPAC name of ethyl N-(2-propan-2-yloxyethyl)carbamate (CID 14496147) is ethyl N-(2-propan-2-yloxyethyl)carbamate.
What is the SMILES notation for ethyl N-(2-propan-2-yloxyethyl)carbamate?
The canonical SMILES for ethyl N-(2-propan-2-yloxyethyl)carbamate is CCOC(=O)NCCOC(C)C.
What is the InChIKey of ethyl N-(2-propan-2-yloxyethyl)carbamate?
The InChIKey is CLCSDISYGGXOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-4-11-8(10)9-5-6-12-7(2)3/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of ethyl N-(2-propan-2-yloxyethyl)carbamate?
ethyl N-(2-propan-2-yloxyethyl)carbamate has a molecular weight of 175.23 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-propan-2-yloxyethyl)carbamate is sourced from PubChem (CID 14496147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).