3-amino-2-(6-hydroxyhexoxy)benzamide

C13H20N2O3 — CID 114011440

IUPAC3-amino-2-(6-hydroxyhexoxy)benzamide
SMILESNC(=O)c1cccc(N)c1OCCCCCCO
InChIInChI=1S/C13H20N2O3/c14-11-7-5-6-10(13(15)17)12(11)18-9-4-2-1-3-8-16/h5-7,16H,1-4,8-9,14H2,(H2,15,17)
InChIKeyVABAESUYADKUFI-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.30
Rot. Bonds8

About 3-amino-2-(6-hydroxyhexoxy)benzamide

3-amino-2-(6-hydroxyhexoxy)benzamide (PubChem CID 114011440) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-amino-2-(6-hydroxyhexoxy)benzamide.

Molecular Properties

Compound Name3-amino-2-(6-hydroxyhexoxy)benzamide
PubChem CID114011440
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-amino-2-(6-hydroxyhexoxy)benzamide
SMILESNC(=O)c1cccc(N)c1OCCCCCCO
InChIInChI=1S/C13H20N2O3/c14-11-7-5-6-10(13(15)17)12(11)18-9-4-2-1-3-8-16/h5-7,16H,1-4,8-9,14H2,(H2,15,17)
InChIKeyVABAESUYADKUFI-UHFFFAOYSA-N
XLogP1.30
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.30
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

3-amino-2-nonoxybenzamide
CID 107873437
3-amino-2-(4-phenylbutoxy)benzamide
CID 107873607
3-amino-2-(2-phenylsulfanylethoxy)benzamide
CID 107873530
4-amino-2-(5-hydroxypentoxy)benzamide
CID 106955432
3-amino-2-pentoxybenzoic acid
CID 112579762
3-amino-2-ethoxy-N-(5-hydroxypentyl)benzamide
CID 107316231
3-amino-2-cyclopentyloxybenzamide
CID 112579558
3-amino-2-(3-fluoropropoxy)benzoic acid
CID 107077492
6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol
CID 107702017
3-amino-2-(4-cyanobutoxy)benzoic acid
CID 107077586
4-[2,3-bis(4-hydroxybutoxy)phenoxy]butan-1-ol
CID 135239341
2,3-bis(2-methoxyethoxy)benzamide
CID 175291641

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(6-hydroxyhexoxy)benzamide?
The IUPAC name of 3-amino-2-(6-hydroxyhexoxy)benzamide (CID 114011440) is 3-amino-2-(6-hydroxyhexoxy)benzamide.
What is the SMILES notation for 3-amino-2-(6-hydroxyhexoxy)benzamide?
The canonical SMILES for 3-amino-2-(6-hydroxyhexoxy)benzamide is NC(=O)c1cccc(N)c1OCCCCCCO.
What is the InChIKey of 3-amino-2-(6-hydroxyhexoxy)benzamide?
The InChIKey is VABAESUYADKUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c14-11-7-5-6-10(13(15)17)12(11)18-9-4-2-1-3-8-16/h5-7,16H,1-4,8-9,14H2,(H2,15,17).
What are the key properties of 3-amino-2-(6-hydroxyhexoxy)benzamide?
3-amino-2-(6-hydroxyhexoxy)benzamide has a molecular weight of 252.31 g/mol, XLogP of 1.30, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(6-hydroxyhexoxy)benzamide is sourced from PubChem (CID 114011440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).