3-acetamido-N-(3-aminopropyl)benzamide

C12H17N3O2 — CID 82335696

IUPAC3-acetamido-N-(3-aminopropyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCCN)c1
InChIInChI=1S/C12H17N3O2/c1-9(16)15-11-5-2-4-10(8-11)12(17)14-7-3-6-13/h2,4-5,8H,3,6-7,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyVUPGLVXZAXYFFY-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.72
Rot. Bonds5

About 3-acetamido-N-(3-aminopropyl)benzamide

3-acetamido-N-(3-aminopropyl)benzamide (PubChem CID 82335696) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-acetamido-N-(3-aminopropyl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(3-aminopropyl)benzamide
PubChem CID82335696
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-acetamido-N-(3-aminopropyl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCCCN)c1
InChIInChI=1S/C12H17N3O2/c1-9(16)15-11-5-2-4-10(8-11)12(17)14-7-3-6-13/h2,4-5,8H,3,6-7,13H2,1H3,(H,14,17)(H,15,16)
InChIKeyVUPGLVXZAXYFFY-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

Computed Properties (RDKit)

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

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Related Compounds

3-acetamido-N-(4-hydroxybutyl)benzamide
CID 106843063
6-[(3-acetamidobenzoyl)amino]hexanoic acid
CID 43170043
3-acetamido-N-ethylbenzamide
CID 17230670
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
N-[2-[(3-acetamidobenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108541876
3-acetamido-N-(2-amino-2-oxoethyl)benzamide
CID 47116875
N-(6-aminohexyl)-3-(tert-butylamino)benzamide
CID 67566948
3-acetamido-N-[3-(2-methylpropoxy)propyl]benzamide
CID 51278231
N-(3-aminopropyl)-3-iodobenzamide
CID 28978873
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881
3-acetamido-N-prop-2-ynylbenzamide
CID 30601137

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-aminopropyl)benzamide?
The IUPAC name of 3-acetamido-N-(3-aminopropyl)benzamide (CID 82335696) is 3-acetamido-N-(3-aminopropyl)benzamide.
What is the SMILES notation for 3-acetamido-N-(3-aminopropyl)benzamide?
The canonical SMILES for 3-acetamido-N-(3-aminopropyl)benzamide is CC(=O)Nc1cccc(C(=O)NCCCN)c1.
What is the InChIKey of 3-acetamido-N-(3-aminopropyl)benzamide?
The InChIKey is VUPGLVXZAXYFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(16)15-11-5-2-4-10(8-11)12(17)14-7-3-6-13/h2,4-5,8H,3,6-7,13H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 3-acetamido-N-(3-aminopropyl)benzamide?
3-acetamido-N-(3-aminopropyl)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-acetamido-N-(3-aminopropyl)benzamide is sourced from PubChem (CID 82335696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).