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

C12H18N2O3 — CID 106955432

IUPAC4-amino-2-(5-hydroxypentoxy)benzamide
SMILESNC(=O)c1ccc(N)cc1OCCCCCO
InChIInChI=1S/C12H18N2O3/c13-9-4-5-10(12(14)16)11(8-9)17-7-3-1-2-6-15/h4-5,8,15H,1-3,6-7,13H2,(H2,14,16)
InChIKeyXGLDFSCVQYYQND-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.91
Rot. Bonds7

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

4-amino-2-(5-hydroxypentoxy)benzamide (PubChem CID 106955432) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-amino-2-(5-hydroxypentoxy)benzamide.

Molecular Properties

Compound Name4-amino-2-(5-hydroxypentoxy)benzamide
PubChem CID106955432
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4-amino-2-(5-hydroxypentoxy)benzamide
SMILESNC(=O)c1ccc(N)cc1OCCCCCO
InChIInChI=1S/C12H18N2O3/c13-9-4-5-10(12(14)16)11(8-9)17-7-3-1-2-6-15/h4-5,8,15H,1-3,6-7,13H2,(H2,14,16)
InChIKeyXGLDFSCVQYYQND-UHFFFAOYSA-N
XLogP0.91
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.91
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-amino-5-oxopentoxy)benzamide
CID 114281709
5-(5-amino-2-methylphenoxy)pentan-1-ol
CID 62229865
6-(5-amino-2-bromophenoxy)hexan-1-ol
CID 107702035
4-amino-2-nonoxybenzoic acid
CID 106954713
5-amino-2-butoxybenzamide
CID 61305277
4-amino-2-(2-hydroxypropoxy)benzamide
CID 106955593
3-amino-2-(6-hydroxyhexoxy)benzamide
CID 114011440
4-amino-2-(ethoxymethoxy)benzamide
CID 106955437
5-hydroxypentyl 4-amino-2-hydroxybenzoate
CID 121013033
4-amino-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzamide
CID 106955525
2-(2-hydroxyethoxy)-4-methylbenzamide
CID 67742497
4-amino-2-(6-hydroxyhexylamino)benzamide
CID 107844200

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-hydroxypentoxy)benzamide?
The IUPAC name of 4-amino-2-(5-hydroxypentoxy)benzamide (CID 106955432) is 4-amino-2-(5-hydroxypentoxy)benzamide.
What is the SMILES notation for 4-amino-2-(5-hydroxypentoxy)benzamide?
The canonical SMILES for 4-amino-2-(5-hydroxypentoxy)benzamide is NC(=O)c1ccc(N)cc1OCCCCCO.
What is the InChIKey of 4-amino-2-(5-hydroxypentoxy)benzamide?
The InChIKey is XGLDFSCVQYYQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c13-9-4-5-10(12(14)16)11(8-9)17-7-3-1-2-6-15/h4-5,8,15H,1-3,6-7,13H2,(H2,14,16).
What are the key properties of 4-amino-2-(5-hydroxypentoxy)benzamide?
4-amino-2-(5-hydroxypentoxy)benzamide has a molecular weight of 238.29 g/mol, XLogP of 0.91, 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-hydroxypentoxy)benzamide is sourced from PubChem (CID 106955432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).