2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide

C11H13N3O2 — CID 144801292

IUPAC2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide
SMILESNC(=O)CNC(=O)N/C=C/c1ccccc1
InChIInChI=1S/C11H13N3O2/c12-10(15)8-14-11(16)13-7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,15)(H2,13,14,16)/b7-6+
InChIKeyNXWVHTHQSZUFEB-VOTSOKGWSA-N
MW219.24 g/mol
LogP0.44
Rot. Bonds4

About 2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide

2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide (PubChem CID 144801292) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide.

Molecular Properties

Compound Name2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide
PubChem CID144801292
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide
SMILESNC(=O)CNC(=O)N/C=C/c1ccccc1
InChIInChI=1S/C11H13N3O2/c12-10(15)8-14-11(16)13-7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,15)(H2,13,14,16)/b7-6+
InChIKeyNXWVHTHQSZUFEB-VOTSOKGWSA-N
XLogP0.44
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-2-phenylethenyl]-3-propylurea
CID 108903089
N-(2-phenylethenylcarbamoyl)formamide
CID 174605369
N-(2-phenylethenyl)acetamide
CID 54032077
2-phenylethenylcarbamic acid
CID 151881054
2-[[(E)-2-(3-chlorophenyl)ethenyl]carbamoylamino]acetic acid
CID 108906497
2-fluoro-N-(2-phenylethenyl)acetamide
CID 174418037
2-(2-phenylethenylamino)prop-2-enoic acid
CID 57353567
1-[(4-methoxyphenyl)methyl]-3-[(E)-2-phenylethenyl]urea
CID 108903141
1-hydroxy-3-[(E)-2-(4-phenylphenyl)ethenyl]urea
CID 122191260
1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108903266
2-methoxy-N-(2-phenylethenyl)acetamide
CID 174718522
(2S)-2-amino-4-methyl-N-(2-phenylethenyl)pentanamide;hydrochloride
CID 174418018

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide?
The IUPAC name of 2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide (CID 144801292) is 2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide.
What is the SMILES notation for 2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide?
The canonical SMILES for 2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide is NC(=O)CNC(=O)N/C=C/c1ccccc1.
What is the InChIKey of 2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide?
The InChIKey is NXWVHTHQSZUFEB-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-10(15)8-14-11(16)13-7-6-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,15)(H2,13,14,16)/b7-6+.
What are the key properties of 2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide?
2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide has a molecular weight of 219.24 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-phenylethenyl]carbamoylamino]acetamide is sourced from PubChem (CID 144801292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).