[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate

C15H18IN3O5 — CID 55307494

IUPAC[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)CNC(=O)c1ccccc1I
InChIInChI=1S/C15H18IN3O5/c1-3-17-15(23)19-13(21)9(2)24-12(20)8-18-14(22)10-6-4-5-7-11(10)16/h4-7,9H,3,8H2,1-2H3,(H,18,22)(H2,17,19,21,23)
InChIKeyRHIJPIFYSQIEJB-UHFFFAOYSA-N
MW447.23 g/mol
LogP0.80
Rot. Bonds6

About [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate (PubChem CID 55307494) has the molecular formula C15H18IN3O5 and a molecular weight of 447.23 g/mol. Its IUPAC name is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate
PubChem CID55307494
Molecular FormulaC15H18IN3O5
Molecular Weight447.23 g/mol
Exact Mass447.03
IUPAC Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)CNC(=O)c1ccccc1I
InChIInChI=1S/C15H18IN3O5/c1-3-17-15(23)19-13(21)9(2)24-12(20)8-18-14(22)10-6-4-5-7-11(10)16/h4-7,9H,3,8H2,1-2H3,(H,18,22)(H2,17,19,21,23)
InChIKeyRHIJPIFYSQIEJB-UHFFFAOYSA-N
XLogP0.80
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.23
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(dimethylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate
CID 55390438
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 55320290
[1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate
CID 55307491
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(2-bromobenzoyl)amino]acetate
CID 8879499
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 46621802
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270601
[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735926
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate
CID 16528074
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11927055
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8736013
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2,2-diphenylacetate
CID 2520831
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948

Frequently Asked Questions

What is the IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate?
The IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate (CID 55307494) is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate.
What is the SMILES notation for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate?
The canonical SMILES for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate is CCNC(=O)NC(=O)C(C)OC(=O)CNC(=O)c1ccccc1I.
What is the InChIKey of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate?
The InChIKey is RHIJPIFYSQIEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18IN3O5/c1-3-17-15(23)19-13(21)9(2)24-12(20)8-18-14(22)10-6-4-5-7-11(10)16/h4-7,9H,3,8H2,1-2H3,(H,18,22)(H2,17,19,21,23).
What are the key properties of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate?
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate has a molecular weight of 447.23 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate is sourced from PubChem (CID 55307494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).