methyl 2-[[2-(carbamoylamino)acetyl]amino]-6-ethylbenzoate

C13H17N3O4 — CID 70351448

IUPACmethyl 2-[[2-(carbamoylamino)acetyl]amino]-6-ethylbenzoate
SMILESCCc1cccc(NC(=O)CNC(N)=O)c1C(=O)OC
InChIInChI=1S/C13H17N3O4/c1-3-8-5-4-6-9(11(8)12(18)20-2)16-10(17)7-15-13(14)19/h4-6H,3,7H2,1-2H3,(H,16,17)(H3,14,15,19)
InChIKeyPZTJMSOCZJEXOM-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.64
Rot. Bonds5

About methyl 2-[[2-(carbamoylamino)acetyl]amino]-6-ethylbenzoate

methyl 2-[[2-(carbamoylamino)acetyl]amino]-6-ethylbenzoate (PubChem CID 70351448) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is methyl 2-[[2-(carbamoylamino)acetyl]amino]-6-ethylbenzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(carbamoylamino)acetyl]amino]-6-ethylbenzoate
PubChem CID70351448
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Namemethyl 2-[[2-(carbamoylamino)acetyl]amino]-6-ethylbenzoate
SMILESCCc1cccc(NC(=O)CNC(N)=O)c1C(=O)OC
InChIInChI=1S/C13H17N3O4/c1-3-8-5-4-6-9(11(8)12(18)20-2)16-10(17)7-15-13(14)19/h4-6H,3,7H2,1-2H3,(H,16,17)(H3,14,15,19)
InChIKeyPZTJMSOCZJEXOM-UHFFFAOYSA-N
XLogP0.64
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-ethyl-6-(propan-2-ylcarbamoylamino)benzoate
CID 131843776
benzyl 2-(ethoxycarbonylamino)-6-ethylbenzoate
CID 70462844
4-(carbamoylamino)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26076497
methyl 3-[[2-(2-ethylanilino)acetyl]amino]benzoate
CID 109007616
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 9201594
N-[2-(2-ethylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 27762194
4-ethyl-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26678506
methyl 4-[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethoxy]-3-methoxybenzoate
CID 8807995
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide
CID 26905201
methyl 4-[[2-(2-ethylanilino)-2-oxoethyl]carbamothioylamino]butanoate
CID 9094963
methyl 4-[[3-(2-ethylanilino)-3-oxopropyl]amino]benzoate
CID 109036138
methyl 2-ethyl-6-(trifluoromethyl)benzoate
CID 162602543

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(carbamoylamino)acetyl]amino]-6-ethylbenzoate?
The IUPAC name of methyl 2-[[2-(carbamoylamino)acetyl]amino]-6-ethylbenzoate (CID 70351448) is methyl 2-[[2-(carbamoylamino)acetyl]amino]-6-ethylbenzoate.
What is the SMILES notation for methyl 2-[[2-(carbamoylamino)acetyl]amino]-6-ethylbenzoate?
The canonical SMILES for methyl 2-[[2-(carbamoylamino)acetyl]amino]-6-ethylbenzoate is CCc1cccc(NC(=O)CNC(N)=O)c1C(=O)OC.
What is the InChIKey of methyl 2-[[2-(carbamoylamino)acetyl]amino]-6-ethylbenzoate?
The InChIKey is PZTJMSOCZJEXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-3-8-5-4-6-9(11(8)12(18)20-2)16-10(17)7-15-13(14)19/h4-6H,3,7H2,1-2H3,(H,16,17)(H3,14,15,19).
What are the key properties of methyl 2-[[2-(carbamoylamino)acetyl]amino]-6-ethylbenzoate?
methyl 2-[[2-(carbamoylamino)acetyl]amino]-6-ethylbenzoate has a molecular weight of 279.30 g/mol, XLogP of 0.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(carbamoylamino)acetyl]amino]-6-ethylbenzoate is sourced from PubChem (CID 70351448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).