8-[(3-hydroxybenzoyl)amino]octanoic acid;2-methylbutan-2-amine

C20H34N2O4 — CID 175439236

IUPAC8-[(3-hydroxybenzoyl)amino]octanoic acid;2-methylbutan-2-amine
SMILESCCC(C)(C)N.O=C(O)CCCCCCCNC(=O)c1cccc(O)c1
InChIInChI=1S/C15H21NO4.C5H13N/c17-13-8-6-7-12(11-13)15(20)16-10-5-3-1-2-4-9-14(18)19;1-4-5(2,3)6/h6-8,11,17H,1-5,9-10H2,(H,16,20)(H,18,19);4,6H2,1-3H3
InChIKeyKGFXDYCKSOXPCF-UHFFFAOYSA-N
MW366.50 g/mol
LogP3.68
Rot. Bonds10

About 8-[(3-hydroxybenzoyl)amino]octanoic acid;2-methylbutan-2-amine

8-[(3-hydroxybenzoyl)amino]octanoic acid;2-methylbutan-2-amine (PubChem CID 175439236) has the molecular formula C20H34N2O4 and a molecular weight of 366.50 g/mol. Its IUPAC name is 8-[(3-hydroxybenzoyl)amino]octanoic acid;2-methylbutan-2-amine.

Molecular Properties

Compound Name8-[(3-hydroxybenzoyl)amino]octanoic acid;2-methylbutan-2-amine
PubChem CID175439236
Molecular FormulaC20H34N2O4
Molecular Weight366.50 g/mol
Exact Mass366.25
IUPAC Name8-[(3-hydroxybenzoyl)amino]octanoic acid;2-methylbutan-2-amine
SMILESCCC(C)(C)N.O=C(O)CCCCCCCNC(=O)c1cccc(O)c1
InChIInChI=1S/C15H21NO4.C5H13N/c17-13-8-6-7-12(11-13)15(20)16-10-5-3-1-2-4-9-14(18)19;1-4-5(2,3)6/h6-8,11,17H,1-5,9-10H2,(H,16,20)(H,18,19);4,6H2,1-3H3
InChIKeyKGFXDYCKSOXPCF-UHFFFAOYSA-N
XLogP3.68
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-octylbenzamide
CID 115568584
3-[(3-hydroxybenzoyl)amino]propanoic acid
CID 16773120
6-[(3-acetamidobenzoyl)amino]hexanoic acid
CID 43170043
3-hydroxy-N-(5-methylsulfanylpentyl)benzamide
CID 104927044
7-[(4-hydroxybenzoyl)amino]heptanoic acid
CID 24691793
6-[[3,5-bis(5-carboxypentylcarbamoyl)benzoyl]amino]hexanoic acid
CID 71378278
7-[(3-cyanobenzoyl)amino]heptanoic acid
CID 24707354
5-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 62033959
3-hydroxy-N-[3-[methyl-[3-(2-methylbutan-2-ylamino)propyl]amino]propyl]benzamide
CID 70661710
N-ethyl-3-hydroxybenzamide
CID 13175248
5-[(3,4-dihydroxybenzoyl)amino]pentanoic acid
CID 107728107
5-[[3-(sulfamoylmethyl)benzoyl]amino]pentanoic acid
CID 119235172

Frequently Asked Questions

What is the IUPAC name of 8-[(3-hydroxybenzoyl)amino]octanoic acid;2-methylbutan-2-amine?
The IUPAC name of 8-[(3-hydroxybenzoyl)amino]octanoic acid;2-methylbutan-2-amine (CID 175439236) is 8-[(3-hydroxybenzoyl)amino]octanoic acid;2-methylbutan-2-amine.
What is the SMILES notation for 8-[(3-hydroxybenzoyl)amino]octanoic acid;2-methylbutan-2-amine?
The canonical SMILES for 8-[(3-hydroxybenzoyl)amino]octanoic acid;2-methylbutan-2-amine is CCC(C)(C)N.O=C(O)CCCCCCCNC(=O)c1cccc(O)c1.
What is the InChIKey of 8-[(3-hydroxybenzoyl)amino]octanoic acid;2-methylbutan-2-amine?
The InChIKey is KGFXDYCKSOXPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4.C5H13N/c17-13-8-6-7-12(11-13)15(20)16-10-5-3-1-2-4-9-14(18)19;1-4-5(2,3)6/h6-8,11,17H,1-5,9-10H2,(H,16,20)(H,18,19);4,6H2,1-3H3.
What are the key properties of 8-[(3-hydroxybenzoyl)amino]octanoic acid;2-methylbutan-2-amine?
8-[(3-hydroxybenzoyl)amino]octanoic acid;2-methylbutan-2-amine has a molecular weight of 366.50 g/mol, XLogP of 3.68, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-hydroxybenzoyl)amino]octanoic acid;2-methylbutan-2-amine is sourced from PubChem (CID 175439236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).