[2-(carbamoylamino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate

C14H17N3O5 — CID 2116853

IUPAC[2-(carbamoylamino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCc1cc(C)cc(C(=O)NCC(=O)OCC(=O)NC(N)=O)c1
InChIInChI=1S/C14H17N3O5/c1-8-3-9(2)5-10(4-8)13(20)16-6-12(19)22-7-11(18)17-14(15)21/h3-5H,6-7H2,1-2H3,(H,16,20)(H3,15,17,18,21)
InChIKeyLBWFTHJDWBYSLG-UHFFFAOYSA-N
MW307.31 g/mol
LogP-0.23
Rot. Bonds5

About [2-(carbamoylamino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate

[2-(carbamoylamino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate (PubChem CID 2116853) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
PubChem CID2116853
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCc1cc(C)cc(C(=O)NCC(=O)OCC(=O)NC(N)=O)c1
InChIInChI=1S/C14H17N3O5/c1-8-3-9(2)5-10(4-8)13(20)16-6-12(19)22-7-11(18)17-14(15)21/h3-5H,6-7H2,1-2H3,(H,16,20)(H3,15,17,18,21)
InChIKeyLBWFTHJDWBYSLG-UHFFFAOYSA-N
XLogP-0.23
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 2386261
[2-(4-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 55314344
[2-(4-nitroanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 40629950
[2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 24980263
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 4781473
[2-(2-benzoylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 35947495
[2-[2-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]hydrazinyl]-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 55444726
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 55320187
[2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363764
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885139
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 16536890

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate (CID 2116853) is [2-(carbamoylamino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate is Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)NC(N)=O)c1.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
The InChIKey is LBWFTHJDWBYSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-8-3-9(2)5-10(4-8)13(20)16-6-12(19)22-7-11(18)17-14(15)21/h3-5H,6-7H2,1-2H3,(H,16,20)(H3,15,17,18,21).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
[2-(carbamoylamino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate has a molecular weight of 307.31 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate is sourced from PubChem (CID 2116853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).