4-amino-2-(5-amino-5-oxopentoxy)benzamide

C12H17N3O3 — CID 114281709

IUPAC4-amino-2-(5-amino-5-oxopentoxy)benzamide
SMILESNC(=O)CCCCOc1cc(N)ccc1C(N)=O
InChIInChI=1S/C12H17N3O3/c13-8-4-5-9(12(15)17)10(7-8)18-6-2-1-3-11(14)16/h4-5,7H,1-3,6,13H2,(H2,14,16)(H2,15,17)
InChIKeyLIWURTIPZZMKGI-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.40
Rot. Bonds7

About 4-amino-2-(5-amino-5-oxopentoxy)benzamide

4-amino-2-(5-amino-5-oxopentoxy)benzamide (PubChem CID 114281709) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-amino-2-(5-amino-5-oxopentoxy)benzamide.

Molecular Properties

Compound Name4-amino-2-(5-amino-5-oxopentoxy)benzamide
PubChem CID114281709
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name4-amino-2-(5-amino-5-oxopentoxy)benzamide
SMILESNC(=O)CCCCOc1cc(N)ccc1C(N)=O
InChIInChI=1S/C12H17N3O3/c13-8-4-5-9(12(15)17)10(7-8)18-6-2-1-3-11(14)16/h4-5,7H,1-3,6,13H2,(H2,14,16)(H2,15,17)
InChIKeyLIWURTIPZZMKGI-UHFFFAOYSA-N
XLogP0.40
TPSA121.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-(5-hydroxypentoxy)benzamide
CID 106955432
5-amino-2-(3-amino-3-oxopropoxy)benzamide
CID 106956094
4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide
CID 106955525
5-amino-2-butoxybenzamide
CID 61305277
4-amino-2-(2-hydroxypropoxy)benzamide
CID 106955593
4-amino-2-(ethoxymethoxy)benzamide
CID 106955437
4-amino-2-(6-ethoxy-6-oxohexoxy)benzoic acid
CID 106954896
4-amino-2-nonoxybenzoic acid
CID 106954713
2-(4-methoxybutoxy)benzene-1,4-dicarboxamide
CID 140972457
5-(2-acetyl-5-bromophenoxy)pentanamide
CID 114281647
4-amino-2-[2-(dimethylamino)-2-methylpropoxy]benzamide
CID 79679565
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-amino-5-oxopentoxy)benzamide?
The IUPAC name of 4-amino-2-(5-amino-5-oxopentoxy)benzamide (CID 114281709) is 4-amino-2-(5-amino-5-oxopentoxy)benzamide.
What is the SMILES notation for 4-amino-2-(5-amino-5-oxopentoxy)benzamide?
The canonical SMILES for 4-amino-2-(5-amino-5-oxopentoxy)benzamide is NC(=O)CCCCOc1cc(N)ccc1C(N)=O.
What is the InChIKey of 4-amino-2-(5-amino-5-oxopentoxy)benzamide?
The InChIKey is LIWURTIPZZMKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-8-4-5-9(12(15)17)10(7-8)18-6-2-1-3-11(14)16/h4-5,7H,1-3,6,13H2,(H2,14,16)(H2,15,17).
What are the key properties of 4-amino-2-(5-amino-5-oxopentoxy)benzamide?
4-amino-2-(5-amino-5-oxopentoxy)benzamide has a molecular weight of 251.29 g/mol, XLogP of 0.40, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-amino-5-oxopentoxy)benzamide is sourced from PubChem (CID 114281709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).