3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide

C10H12N4O3 — CID 113218880

IUPAC3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide
SMILESNC(=O)NC(=O)CNc1cccc(C(N)=O)c1
InChIInChI=1S/C10H12N4O3/c11-9(16)6-2-1-3-7(4-6)13-5-8(15)14-10(12)17/h1-4,13H,5H2,(H2,11,16)(H3,12,14,15,17)
InChIKeyDMEFOPMJNVFVFA-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.61
Rot. Bonds4

About 3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide

3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide (PubChem CID 113218880) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide
PubChem CID113218880
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide
SMILESNC(=O)NC(=O)CNc1cccc(C(N)=O)c1
InChIInChI=1S/C10H12N4O3/c11-9(16)6-2-1-3-7(4-6)13-5-8(15)14-10(12)17/h1-4,13H,5H2,(H2,11,16)(H3,12,14,15,17)
InChIKeyDMEFOPMJNVFVFA-UHFFFAOYSA-N
XLogP-0.61
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide
CID 54842453
3-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
CID 54842423
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide
CID 54842256
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide
CID 54842743
3-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833567
methyl 3-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]benzoate
CID 36587024
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
CID 54814576
3-[(3-amino-3-oxopropyl)amino]benzamide
CID 107811145
3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
CID 54842293
3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842326
3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842589
4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 46633398

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide?
The IUPAC name of 3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide (CID 113218880) is 3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide?
The canonical SMILES for 3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide is NC(=O)NC(=O)CNc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide?
The InChIKey is DMEFOPMJNVFVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c11-9(16)6-2-1-3-7(4-6)13-5-8(15)14-10(12)17/h1-4,13H,5H2,(H2,11,16)(H3,12,14,15,17).
What are the key properties of 3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide?
3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide has a molecular weight of 236.23 g/mol, XLogP of -0.61, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(carbamoylamino)-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 113218880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).