ethyl N-acetyl-N-propanoylcarbamate

C8H13NO4 — CID 121227334

IUPACethyl N-acetyl-N-propanoylcarbamate
SMILESCCOC(=O)N(C(C)=O)C(=O)CC
InChIInChI=1S/C8H13NO4/c1-4-7(11)9(6(3)10)8(12)13-5-2/h4-5H2,1-3H3
InChIKeyCIVIRUAIYZIZCG-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.93
Rot. Bonds2

About ethyl N-acetyl-N-propanoylcarbamate

ethyl N-acetyl-N-propanoylcarbamate (PubChem CID 121227334) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is ethyl N-acetyl-N-propanoylcarbamate.

Molecular Properties

Compound Nameethyl N-acetyl-N-propanoylcarbamate
PubChem CID121227334
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Nameethyl N-acetyl-N-propanoylcarbamate
SMILESCCOC(=O)N(C(C)=O)C(=O)CC
InChIInChI=1S/C8H13NO4/c1-4-7(11)9(6(3)10)8(12)13-5-2/h4-5H2,1-3H3
InChIKeyCIVIRUAIYZIZCG-UHFFFAOYSA-N
XLogP0.93
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-acetyl-N-ethoxycarbonylcarbamate
CID 4688283
ethyl N,N-diaminocarbamate
CID 54365685
ethyl N-(3-amino-3-oxopropanoyl)-N-ethoxycarbonylcarbamate
CID 151456777
ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate
CID 170571033
butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate
CID 153346338
ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate
CID 86250669
ethyl N-propanoyl-N-prop-2-enylcarbamate
CID 19738530
ethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate
CID 160936795
bis(butan-2-one);ethyl acetate
CID 162133586
ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
CID 11777393
ethyl N-[bis(ethoxycarbonyl)amino]-N-(trifluoromethyl)carbamate
CID 174359195
ethyl acetate;methanol
CID 173029748

Frequently Asked Questions

What is the IUPAC name of ethyl N-acetyl-N-propanoylcarbamate?
The IUPAC name of ethyl N-acetyl-N-propanoylcarbamate (CID 121227334) is ethyl N-acetyl-N-propanoylcarbamate.
What is the SMILES notation for ethyl N-acetyl-N-propanoylcarbamate?
The canonical SMILES for ethyl N-acetyl-N-propanoylcarbamate is CCOC(=O)N(C(C)=O)C(=O)CC.
What is the InChIKey of ethyl N-acetyl-N-propanoylcarbamate?
The InChIKey is CIVIRUAIYZIZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-4-7(11)9(6(3)10)8(12)13-5-2/h4-5H2,1-3H3.
What are the key properties of ethyl N-acetyl-N-propanoylcarbamate?
ethyl N-acetyl-N-propanoylcarbamate has a molecular weight of 187.19 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-acetyl-N-propanoylcarbamate is sourced from PubChem (CID 121227334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).