2-hydroxyethyl N-[(2-hydroxyethoxycarbonylcarbamoylamino)carbamoyl]carbamate

C8H14N4O8 — CID 101055685

IUPAC2-hydroxyethyl N-[(2-hydroxyethoxycarbonylcarbamoylamino)carbamoyl]carbamate
SMILESO=C(NNC(=O)NC(=O)OCCO)NC(=O)OCCO
InChIInChI=1S/C8H14N4O8/c13-1-3-19-7(17)9-5(15)11-12-6(16)10-8(18)20-4-2-14/h13-14H,1-4H2,(H2,9,11,15,17)(H2,10,12,16,18)
InChIKeyIIZXRAJCSHNDPC-UHFFFAOYSA-N
MW294.22 g/mol
LogP-2.24
Rot. Bonds4

About 2-hydroxyethyl N-[(2-hydroxyethoxycarbonylcarbamoylamino)carbamoyl]carbamate

2-hydroxyethyl N-[(2-hydroxyethoxycarbonylcarbamoylamino)carbamoyl]carbamate (PubChem CID 101055685) has the molecular formula C8H14N4O8 and a molecular weight of 294.22 g/mol. Its IUPAC name is 2-hydroxyethyl N-[(2-hydroxyethoxycarbonylcarbamoylamino)carbamoyl]carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-[(2-hydroxyethoxycarbonylcarbamoylamino)carbamoyl]carbamate
PubChem CID101055685
Molecular FormulaC8H14N4O8
Molecular Weight294.22 g/mol
Exact Mass294.08
IUPAC Name2-hydroxyethyl N-[(2-hydroxyethoxycarbonylcarbamoylamino)carbamoyl]carbamate
SMILESO=C(NNC(=O)NC(=O)OCCO)NC(=O)OCCO
InChIInChI=1S/C8H14N4O8/c13-1-3-19-7(17)9-5(15)11-12-6(16)10-8(18)20-4-2-14/h13-14H,1-4H2,(H2,9,11,15,17)(H2,10,12,16,18)
InChIKeyIIZXRAJCSHNDPC-UHFFFAOYSA-N
XLogP-2.24
TPSA175.32 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.22
LogP ≤ 5-2.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 71382722
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CID 15560805
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CID 165344355
2-hydroxyethyl N-(3-ethylpentan-3-yl)carbamate
CID 79349873
1,3-diaminourea;2-(2-hydroxyethoxy)ethanol
CID 159824240
cobalt;ethyl N-(ethoxycarbonylcarbamoyl)carbamate
CID 160975753
2-hydroxyethyl N-(5-methylhexan-2-yl)carbamate
CID 79348697
2-hydroxyethyl N-(3-methyl-2-propan-2-ylbutyl)carbamate
CID 102908393
5-hydroxypentyl N-methylcarbamate
CID 138694704
2-hydroxyethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 79348554
2-hydroxyethyl N-heptylcarbamate
CID 124705283
2-hydroxyethyl N-(4-bromo-2,6-difluorophenyl)carbamate
CID 79349431

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-[(2-hydroxyethoxycarbonylcarbamoylamino)carbamoyl]carbamate?
The IUPAC name of 2-hydroxyethyl N-[(2-hydroxyethoxycarbonylcarbamoylamino)carbamoyl]carbamate (CID 101055685) is 2-hydroxyethyl N-[(2-hydroxyethoxycarbonylcarbamoylamino)carbamoyl]carbamate.
What is the SMILES notation for 2-hydroxyethyl N-[(2-hydroxyethoxycarbonylcarbamoylamino)carbamoyl]carbamate?
The canonical SMILES for 2-hydroxyethyl N-[(2-hydroxyethoxycarbonylcarbamoylamino)carbamoyl]carbamate is O=C(NNC(=O)NC(=O)OCCO)NC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-[(2-hydroxyethoxycarbonylcarbamoylamino)carbamoyl]carbamate?
The InChIKey is IIZXRAJCSHNDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O8/c13-1-3-19-7(17)9-5(15)11-12-6(16)10-8(18)20-4-2-14/h13-14H,1-4H2,(H2,9,11,15,17)(H2,10,12,16,18).
What are the key properties of 2-hydroxyethyl N-[(2-hydroxyethoxycarbonylcarbamoylamino)carbamoyl]carbamate?
2-hydroxyethyl N-[(2-hydroxyethoxycarbonylcarbamoylamino)carbamoyl]carbamate has a molecular weight of 294.22 g/mol, XLogP of -2.24, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-[(2-hydroxyethoxycarbonylcarbamoylamino)carbamoyl]carbamate is sourced from PubChem (CID 101055685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).