2-hydroxyethyl N-(1-ethoxypropan-2-yl)carbamate

C8H17NO4 — CID 79348986

IUPAC2-hydroxyethyl N-(1-ethoxypropan-2-yl)carbamate
SMILESCCOCC(C)NC(=O)OCCO
InChIInChI=1S/C8H17NO4/c1-3-12-6-7(2)9-8(11)13-5-4-10/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyLQIUWIFGYNFTLL-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.13
Rot. Bonds6

About 2-hydroxyethyl N-(1-ethoxypropan-2-yl)carbamate

2-hydroxyethyl N-(1-ethoxypropan-2-yl)carbamate (PubChem CID 79348986) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-hydroxyethyl N-(1-ethoxypropan-2-yl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-(1-ethoxypropan-2-yl)carbamate
PubChem CID79348986
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2-hydroxyethyl N-(1-ethoxypropan-2-yl)carbamate
SMILESCCOCC(C)NC(=O)OCCO
InChIInChI=1S/C8H17NO4/c1-3-12-6-7(2)9-8(11)13-5-4-10/h7,10H,3-6H2,1-2H3,(H,9,11)
InChIKeyLQIUWIFGYNFTLL-UHFFFAOYSA-N
XLogP0.13
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate
CID 79348697
2-hydroxyethyl N-propan-2-ylcarbamate
CID 71382722
(2R)-2-amino-N-(1-ethoxypropan-2-yl)propanamide
CID 78977149
tert-butyl N-[(2S)-1-ethoxypropan-2-yl]carbamate;tert-butyl N-[(2S)-1-hydroxypropan-2-yl]carbamate;sulfane
CID 161043210
ethane;N-(1-ethoxypropan-2-yl)acetamide;methanol
CID 156707108
[(2S)-2-(ethoxycarbonylamino)propyl] acetate
CID 131844256
methyl 2-(2-hydroxyethoxycarbonylamino)-3-methylpentanoate
CID 79345601
4-amino-N-(1-ethoxypropan-2-yl)-3-methylbutanamide
CID 81087723
2-ethoxyethyl N-[6-(2-ethoxyethoxycarbonylamino)hexan-2-yl]carbamate
CID 153316173
butyl N-(1-iodopropan-2-yl)carbamate
CID 54517423
1-amino-N-(1-ethoxypropan-2-yl)cyclobutane-1-carboxamide
CID 81168256
ethoxyethane;2-hydroxyethyl propanoate
CID 87293402

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-(1-ethoxypropan-2-yl)carbamate?
The IUPAC name of 2-hydroxyethyl N-(1-ethoxypropan-2-yl)carbamate (CID 79348986) is 2-hydroxyethyl N-(1-ethoxypropan-2-yl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-(1-ethoxypropan-2-yl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-(1-ethoxypropan-2-yl)carbamate is CCOCC(C)NC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-(1-ethoxypropan-2-yl)carbamate?
The InChIKey is LQIUWIFGYNFTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-3-12-6-7(2)9-8(11)13-5-4-10/h7,10H,3-6H2,1-2H3,(H,9,11).
What are the key properties of 2-hydroxyethyl N-(1-ethoxypropan-2-yl)carbamate?
2-hydroxyethyl N-(1-ethoxypropan-2-yl)carbamate has a molecular weight of 191.23 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-(1-ethoxypropan-2-yl)carbamate is sourced from PubChem (CID 79348986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).