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

C14H17IN2O4 — CID 55390438

IUPAC[1-(dimethylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)c1ccccc1I)C(=O)N(C)C
InChIInChI=1S/C14H17IN2O4/c1-9(14(20)17(2)3)21-12(18)8-16-13(19)10-6-4-5-7-11(10)15/h4-7,9H,8H2,1-3H3,(H,16,19)
InChIKeyYXEHZJIAGCMHKM-UHFFFAOYSA-N
MW404.20 g/mol
LogP1.04
Rot. Bonds5

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

[1-(dimethylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate (PubChem CID 55390438) has the molecular formula C14H17IN2O4 and a molecular weight of 404.20 g/mol. Its IUPAC name is [1-(dimethylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-(dimethylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate
PubChem CID55390438
Molecular FormulaC14H17IN2O4
Molecular Weight404.20 g/mol
Exact Mass404.02
IUPAC Name[1-(dimethylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate
SMILESCC(OC(=O)CNC(=O)c1ccccc1I)C(=O)N(C)C
InChIInChI=1S/C14H17IN2O4/c1-9(14(20)17(2)3)21-12(18)8-16-13(19)10-6-4-5-7-11(10)15/h4-7,9H,8H2,1-3H3,(H,16,19)
InChIKeyYXEHZJIAGCMHKM-UHFFFAOYSA-N
XLogP1.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.20
LogP ≤ 51.04
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-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate
CID 55307491
[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-methylanilino)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602068
2-iodo-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 27742948
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 2625448
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9270269
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 7807993
N-[2-(dimethylamino)-4-methylpentyl]-2-iodobenzamide
CID 54938089
2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880467
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 46824068

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate?
The IUPAC name of [1-(dimethylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate (CID 55390438) is [1-(dimethylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate.
What is the SMILES notation for [1-(dimethylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate?
The canonical SMILES for [1-(dimethylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate is CC(OC(=O)CNC(=O)c1ccccc1I)C(=O)N(C)C.
What is the InChIKey of [1-(dimethylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate?
The InChIKey is YXEHZJIAGCMHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN2O4/c1-9(14(20)17(2)3)21-12(18)8-16-13(19)10-6-4-5-7-11(10)15/h4-7,9H,8H2,1-3H3,(H,16,19).
What are the key properties of [1-(dimethylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate?
[1-(dimethylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate has a molecular weight of 404.20 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate is sourced from PubChem (CID 55390438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).