(4-ethoxyphenyl)carbamoyl hydrogen carbonate

C10H11NO5 — CID 23180192

IUPAC(4-ethoxyphenyl)carbamoyl hydrogen carbonate
SMILESCCOc1ccc(NC(=O)OC(=O)O)cc1
InChIInChI=1S/C10H11NO5/c1-2-15-8-5-3-7(4-6-8)11-9(12)16-10(13)14/h3-6H,2H2,1H3,(H,11,12)(H,13,14)
InChIKeyBYHGUOFZOJALFC-UHFFFAOYSA-N
MW225.20 g/mol
LogP2.31
Rot. Bonds3

About (4-ethoxyphenyl)carbamoyl hydrogen carbonate

(4-ethoxyphenyl)carbamoyl hydrogen carbonate (PubChem CID 23180192) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is (4-ethoxyphenyl)carbamoyl hydrogen carbonate.

Molecular Properties

Compound Name(4-ethoxyphenyl)carbamoyl hydrogen carbonate
PubChem CID23180192
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name(4-ethoxyphenyl)carbamoyl hydrogen carbonate
SMILESCCOc1ccc(NC(=O)OC(=O)O)cc1
InChIInChI=1S/C10H11NO5/c1-2-15-8-5-3-7(4-6-8)11-9(12)16-10(13)14/h3-6H,2H2,1H3,(H,11,12)(H,13,14)
InChIKeyBYHGUOFZOJALFC-UHFFFAOYSA-N
XLogP2.31
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-[(4-ethoxyphenyl)carbamoyloxy]propanoic acid
CID 121008998
4-[(4-ethoxyphenyl)carbamoylamino]benzoic acid
CID 108874268
1-amino-3-(4-ethoxyphenyl)-1-methylurea
CID 154129806
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896
N,N'-bis(4-ethoxyphenyl)nonanediamide
CID 4507995
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54811266
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)carbamoyl hydrogen carbonate?
The IUPAC name of (4-ethoxyphenyl)carbamoyl hydrogen carbonate (CID 23180192) is (4-ethoxyphenyl)carbamoyl hydrogen carbonate.
What is the SMILES notation for (4-ethoxyphenyl)carbamoyl hydrogen carbonate?
The canonical SMILES for (4-ethoxyphenyl)carbamoyl hydrogen carbonate is CCOc1ccc(NC(=O)OC(=O)O)cc1.
What is the InChIKey of (4-ethoxyphenyl)carbamoyl hydrogen carbonate?
The InChIKey is BYHGUOFZOJALFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-2-15-8-5-3-7(4-6-8)11-9(12)16-10(13)14/h3-6H,2H2,1H3,(H,11,12)(H,13,14).
What are the key properties of (4-ethoxyphenyl)carbamoyl hydrogen carbonate?
(4-ethoxyphenyl)carbamoyl hydrogen carbonate has a molecular weight of 225.20 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)carbamoyl hydrogen carbonate is sourced from PubChem (CID 23180192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).