3-[[2-(butylcarbamoylamino)acetyl]amino]benzamide

C14H20N4O3 — CID 68729276

IUPAC3-[[2-(butylcarbamoylamino)acetyl]amino]benzamide
SMILESCCCCNC(=O)NCC(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C14H20N4O3/c1-2-3-7-16-14(21)17-9-12(19)18-11-6-4-5-10(8-11)13(15)20/h4-6,8H,2-3,7,9H2,1H3,(H2,15,20)(H,18,19)(H2,16,17,21)
InChIKeyXUKNOIXKEYKTIO-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.82
Rot. Bonds7

About 3-[[2-(butylcarbamoylamino)acetyl]amino]benzamide

3-[[2-(butylcarbamoylamino)acetyl]amino]benzamide (PubChem CID 68729276) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-[[2-(butylcarbamoylamino)acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(butylcarbamoylamino)acetyl]amino]benzamide
PubChem CID68729276
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name3-[[2-(butylcarbamoylamino)acetyl]amino]benzamide
SMILESCCCCNC(=O)NCC(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C14H20N4O3/c1-2-3-7-16-14(21)17-9-12(19)18-11-6-4-5-10(8-11)13(15)20/h4-6,8H,2-3,7,9H2,1H3,(H2,15,20)(H,18,19)(H2,16,17,21)
InChIKeyXUKNOIXKEYKTIO-UHFFFAOYSA-N
XLogP0.82
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(pentylcarbamoylamino)benzamide
CID 47033052
3-(heptanoylamino)benzamide
CID 54789184
N-butyl-3-[[2-(ethylamino)acetyl]amino]benzamide
CID 54820705
N-butyl-3-[[2-oxo-2-[3-(propylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54833572
N-butyl-3-[[2-(heptylamino)acetyl]amino]benzamide
CID 54814616
N-butyl-3-[[2-[4-(butylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54831919
N-butyl-3-[[2-(3-methylanilino)acetyl]amino]benzamide
CID 54810805
3-[[2-[3-(butylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54839900
ethyl 4-[3-(butylcarbamoyl)anilino]-4-oxobutanoate
CID 17196916
N-butyl-3-(heptanoylamino)benzamide
CID 54789148
3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817579
3-[[2-[[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]amino]acetyl]amino]benzamide
CID 144762883

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(butylcarbamoylamino)acetyl]amino]benzamide?
The IUPAC name of 3-[[2-(butylcarbamoylamino)acetyl]amino]benzamide (CID 68729276) is 3-[[2-(butylcarbamoylamino)acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(butylcarbamoylamino)acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-(butylcarbamoylamino)acetyl]amino]benzamide is CCCCNC(=O)NCC(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[2-(butylcarbamoylamino)acetyl]amino]benzamide?
The InChIKey is XUKNOIXKEYKTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-2-3-7-16-14(21)17-9-12(19)18-11-6-4-5-10(8-11)13(15)20/h4-6,8H,2-3,7,9H2,1H3,(H2,15,20)(H,18,19)(H2,16,17,21).
What are the key properties of 3-[[2-(butylcarbamoylamino)acetyl]amino]benzamide?
3-[[2-(butylcarbamoylamino)acetyl]amino]benzamide has a molecular weight of 292.34 g/mol, XLogP of 0.82, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(butylcarbamoylamino)acetyl]amino]benzamide is sourced from PubChem (CID 68729276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).