1-carbamoyl-3-(phenylcarbamoyl)urea;diethyl carbonate

C14H20N4O6 — CID 161323635

IUPAC1-carbamoyl-3-(phenylcarbamoyl)urea;diethyl carbonate
SMILESCCOC(=O)OCC.NC(=O)NC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C9H10N4O3.C5H10O3/c10-7(14)12-9(16)13-8(15)11-6-4-2-1-3-5-6;1-3-7-5(6)8-4-2/h1-5H,(H5,10,11,12,13,14,15,16);3-4H2,1-2H3
InChIKeyVKMBRRLPLACJFX-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.78
Rot. Bonds3

About 1-carbamoyl-3-(phenylcarbamoyl)urea;diethyl carbonate

1-carbamoyl-3-(phenylcarbamoyl)urea;diethyl carbonate (PubChem CID 161323635) has the molecular formula C14H20N4O6 and a molecular weight of 340.34 g/mol. Its IUPAC name is 1-carbamoyl-3-(phenylcarbamoyl)urea;diethyl carbonate.

Molecular Properties

Compound Name1-carbamoyl-3-(phenylcarbamoyl)urea;diethyl carbonate
PubChem CID161323635
Molecular FormulaC14H20N4O6
Molecular Weight340.34 g/mol
Exact Mass340.14
IUPAC Name1-carbamoyl-3-(phenylcarbamoyl)urea;diethyl carbonate
SMILESCCOC(=O)OCC.NC(=O)NC(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C9H10N4O3.C5H10O3/c10-7(14)12-9(16)13-8(15)11-6-4-2-1-3-5-6;1-3-7-5(6)8-4-2/h1-5H,(H5,10,11,12,13,14,15,16);3-4H2,1-2H3
InChIKeyVKMBRRLPLACJFX-UHFFFAOYSA-N
XLogP1.78
TPSA148.85 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethyl-N-(phenylcarbamoylcarbamoyl)butanamide
CID 551560
ethanol;phenylurea
CID 158950745
butyl N-(phenylcarbamoyl)carbamate
CID 67363969
ethyl 3-hydroxy-2-[N-(phenylcarbamoyl)carbamimidoyl]but-2-enoate
CID 146674628
methyl N-(phenylcarbamoyl)carbamate
CID 13097714
ethyl [4-[(4-phenoxyphenyl)carbamoylamino]phenyl] carbonate
CID 108865510
ethyl 3-anilino-3-oxopropanoate
CID 3016808
ethyl (2S)-3-amino-2-(phenylcarbamoylamino)propanoate
CID 59103872
bis((Z)-2-benzoyl-3-ethoxy-3-hydroxy-N-phenylprop-2-enamide);copper
CID 11814456
1-methyl-3-phenylurea;propane
CID 142949663
3-oxo-N-(phenylcarbamoyl)butanamide
CID 10466039
ethyl N-[(3-methylphenyl)carbamoyl]carbamate
CID 59576587

Frequently Asked Questions

What is the IUPAC name of 1-carbamoyl-3-(phenylcarbamoyl)urea;diethyl carbonate?
The IUPAC name of 1-carbamoyl-3-(phenylcarbamoyl)urea;diethyl carbonate (CID 161323635) is 1-carbamoyl-3-(phenylcarbamoyl)urea;diethyl carbonate.
What is the SMILES notation for 1-carbamoyl-3-(phenylcarbamoyl)urea;diethyl carbonate?
The canonical SMILES for 1-carbamoyl-3-(phenylcarbamoyl)urea;diethyl carbonate is CCOC(=O)OCC.NC(=O)NC(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of 1-carbamoyl-3-(phenylcarbamoyl)urea;diethyl carbonate?
The InChIKey is VKMBRRLPLACJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3.C5H10O3/c10-7(14)12-9(16)13-8(15)11-6-4-2-1-3-5-6;1-3-7-5(6)8-4-2/h1-5H,(H5,10,11,12,13,14,15,16);3-4H2,1-2H3.
What are the key properties of 1-carbamoyl-3-(phenylcarbamoyl)urea;diethyl carbonate?
1-carbamoyl-3-(phenylcarbamoyl)urea;diethyl carbonate has a molecular weight of 340.34 g/mol, XLogP of 1.78, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyl-3-(phenylcarbamoyl)urea;diethyl carbonate is sourced from PubChem (CID 161323635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).