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

C19H19IN2O4 — CID 55307491

IUPAC[1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)c1ccccc1I)C(=O)N(C)c1ccccc1
InChIInChI=1S/C19H19IN2O4/c1-13(19(25)22(2)14-8-4-3-5-9-14)26-17(23)12-21-18(24)15-10-6-7-11-16(15)20/h3-11,13H,12H2,1-2H3,(H,21,24)
InChIKeyMQCAERMZJYKAGF-UHFFFAOYSA-N
MW466.28 g/mol
LogP2.62
Rot. Bonds6

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

[1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate (PubChem CID 55307491) has the molecular formula C19H19IN2O4 and a molecular weight of 466.28 g/mol. Its IUPAC name is [1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate
PubChem CID55307491
Molecular FormulaC19H19IN2O4
Molecular Weight466.28 g/mol
Exact Mass466.04
IUPAC Name[1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)c1ccccc1I)C(=O)N(C)c1ccccc1
InChIInChI=1S/C19H19IN2O4/c1-13(19(25)22(2)14-8-4-3-5-9-14)26-17(23)12-21-18(24)15-10-6-7-11-16(15)20/h3-11,13H,12H2,1-2H3,(H,21,24)
InChIKeyMQCAERMZJYKAGF-UHFFFAOYSA-N
XLogP2.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-(dimethylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate
CID 55390438
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602068
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 2625448
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880467
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885174
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate
CID 55307494
[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8736081
[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783257
N-[2-(dimethylamino)-4-methylpentyl]-2-iodobenzamide
CID 54938089
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948
2-iodo-N-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]benzamide
CID 25472463
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234535

Frequently Asked Questions

What is the IUPAC name of [1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate?
The IUPAC name of [1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate (CID 55307491) is [1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate.
What is the SMILES notation for [1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate?
The canonical SMILES for [1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate is CC(OC(=O)CNC(=O)c1ccccc1I)C(=O)N(C)c1ccccc1.
What is the InChIKey of [1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate?
The InChIKey is MQCAERMZJYKAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19IN2O4/c1-13(19(25)22(2)14-8-4-3-5-9-14)26-17(23)12-21-18(24)15-10-6-7-11-16(15)20/h3-11,13H,12H2,1-2H3,(H,21,24).
What are the key properties of [1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate?
[1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate has a molecular weight of 466.28 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate is sourced from PubChem (CID 55307491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).