3-[[2-(propan-2-ylamino)acetyl]amino]benzamide

C12H17N3O2 — CID 54817579

IUPAC3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
SMILESCC(C)NCC(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-8(2)14-7-11(16)15-10-5-3-4-9(6-10)12(13)17/h3-6,8,14H,7H2,1-2H3,(H2,13,17)(H,15,16)
InChIKeyNYQZBSIGFWFJOF-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.72
Rot. Bonds5

About 3-[[2-(propan-2-ylamino)acetyl]amino]benzamide

3-[[2-(propan-2-ylamino)acetyl]amino]benzamide (PubChem CID 54817579) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[[2-(propan-2-ylamino)acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
PubChem CID54817579
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
SMILESCC(C)NCC(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C12H17N3O2/c1-8(2)14-7-11(16)15-10-5-3-4-9(6-10)12(13)17/h3-6,8,14H,7H2,1-2H3,(H2,13,17)(H,15,16)
InChIKeyNYQZBSIGFWFJOF-UHFFFAOYSA-N
XLogP0.72
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817607
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
(2R)-2-[[2-(3-acetylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194431
3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide
CID 9325774
N-[3-(methanesulfonamido)phenyl]-2-(propan-2-ylamino)acetamide
CID 61274883
3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842589
3-(2-aminopropanoylamino)benzamide
CID 61258270
3-[3-[[2-(propan-2-ylamino)acetyl]amino]phenyl]propanoic acid
CID 115339893
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54823168
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
CID 54814576
2-[[2-(3-bromoanilino)-2-oxoethyl]amino]-3-methylbutanamide
CID 103914228
3-[[2-[3-(1-phenylethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54842211

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(propan-2-ylamino)acetyl]amino]benzamide?
The IUPAC name of 3-[[2-(propan-2-ylamino)acetyl]amino]benzamide (CID 54817579) is 3-[[2-(propan-2-ylamino)acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(propan-2-ylamino)acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-(propan-2-ylamino)acetyl]amino]benzamide is CC(C)NCC(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[2-(propan-2-ylamino)acetyl]amino]benzamide?
The InChIKey is NYQZBSIGFWFJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(2)14-7-11(16)15-10-5-3-4-9(6-10)12(13)17/h3-6,8,14H,7H2,1-2H3,(H2,13,17)(H,15,16).
What are the key properties of 3-[[2-(propan-2-ylamino)acetyl]amino]benzamide?
3-[[2-(propan-2-ylamino)acetyl]amino]benzamide has a molecular weight of 235.29 g/mol, XLogP of 0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(propan-2-ylamino)acetyl]amino]benzamide is sourced from PubChem (CID 54817579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).