[4-[(2-formamido-2-oxoethyl)amino]phenyl] acetate

C11H12N2O4 — CID 22630298

IUPAC[4-[(2-formamido-2-oxoethyl)amino]phenyl] acetate
SMILESCC(=O)Oc1ccc(NCC(=O)NC=O)cc1
InChIInChI=1S/C11H12N2O4/c1-8(15)17-10-4-2-9(3-5-10)12-6-11(16)13-7-14/h2-5,7,12H,6H2,1H3,(H,13,14,16)
InChIKeyMQGNYTLAQIYQFB-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.30
Rot. Bonds5

About [4-[(2-formamido-2-oxoethyl)amino]phenyl] acetate

[4-[(2-formamido-2-oxoethyl)amino]phenyl] acetate (PubChem CID 22630298) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is [4-[(2-formamido-2-oxoethyl)amino]phenyl] acetate.

Molecular Properties

Compound Name[4-[(2-formamido-2-oxoethyl)amino]phenyl] acetate
PubChem CID22630298
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name[4-[(2-formamido-2-oxoethyl)amino]phenyl] acetate
SMILESCC(=O)Oc1ccc(NCC(=O)NC=O)cc1
InChIInChI=1S/C11H12N2O4/c1-8(15)17-10-4-2-9(3-5-10)12-6-11(16)13-7-14/h2-5,7,12H,6H2,1H3,(H,13,14,16)
InChIKeyMQGNYTLAQIYQFB-UHFFFAOYSA-N
XLogP0.30
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(ethylamino)phenyl] acetate
CID 15120452
[4-(propylamino)phenyl] acetate
CID 82532444
[4-(2-formamido-2-methoxyethenyl)phenyl] acetate
CID 173455409
[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl] acetate
CID 175537934
(4-acetyloxyphenyl) acetate;ethanamine
CID 160806185
1-[4-(2-oxopropylamino)anilino]propan-2-one
CID 141317857
[4-(acetamidomethyl)phenyl] acetate
CID 15576450
[4-(cyanoamino)phenyl] acetate
CID 102425642
2-(4-acetamidoanilino)-N-(4-ethoxyphenyl)acetamide
CID 54808313
N-methyl-2-(4-prop-2-enoxyanilino)acetamide
CID 54821477
2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829

Frequently Asked Questions

What is the IUPAC name of [4-[(2-formamido-2-oxoethyl)amino]phenyl] acetate?
The IUPAC name of [4-[(2-formamido-2-oxoethyl)amino]phenyl] acetate (CID 22630298) is [4-[(2-formamido-2-oxoethyl)amino]phenyl] acetate.
What is the SMILES notation for [4-[(2-formamido-2-oxoethyl)amino]phenyl] acetate?
The canonical SMILES for [4-[(2-formamido-2-oxoethyl)amino]phenyl] acetate is CC(=O)Oc1ccc(NCC(=O)NC=O)cc1.
What is the InChIKey of [4-[(2-formamido-2-oxoethyl)amino]phenyl] acetate?
The InChIKey is MQGNYTLAQIYQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-8(15)17-10-4-2-9(3-5-10)12-6-11(16)13-7-14/h2-5,7,12H,6H2,1H3,(H,13,14,16).
What are the key properties of [4-[(2-formamido-2-oxoethyl)amino]phenyl] acetate?
[4-[(2-formamido-2-oxoethyl)amino]phenyl] acetate has a molecular weight of 236.23 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-formamido-2-oxoethyl)amino]phenyl] acetate is sourced from PubChem (CID 22630298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).