3-hydroxy-N-[3-[methyl-[3-(2-methylbutan-2-ylamino)propyl]amino]propyl]benzamide

C19H33N3O2 — CID 70661710

IUPAC3-hydroxy-N-[3-[methyl-[3-(2-methylbutan-2-ylamino)propyl]amino]propyl]benzamide
SMILESCCC(C)(C)NCCCN(C)CCCNC(=O)c1cccc(O)c1
InChIInChI=1S/C19H33N3O2/c1-5-19(2,3)21-12-8-14-22(4)13-7-11-20-18(24)16-9-6-10-17(23)15-16/h6,9-10,15,21,23H,5,7-8,11-14H2,1-4H3,(H,20,24)
InChIKeyYHENZGBMEXLDCF-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.61
Rot. Bonds11

About 3-hydroxy-N-[3-[methyl-[3-(2-methylbutan-2-ylamino)propyl]amino]propyl]benzamide

3-hydroxy-N-[3-[methyl-[3-(2-methylbutan-2-ylamino)propyl]amino]propyl]benzamide (PubChem CID 70661710) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 3-hydroxy-N-[3-[methyl-[3-(2-methylbutan-2-ylamino)propyl]amino]propyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-N-[3-[methyl-[3-(2-methylbutan-2-ylamino)propyl]amino]propyl]benzamide
PubChem CID70661710
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name3-hydroxy-N-[3-[methyl-[3-(2-methylbutan-2-ylamino)propyl]amino]propyl]benzamide
SMILESCCC(C)(C)NCCCN(C)CCCNC(=O)c1cccc(O)c1
InChIInChI=1S/C19H33N3O2/c1-5-19(2,3)21-12-8-14-22(4)13-7-11-20-18(24)16-9-6-10-17(23)15-16/h6,9-10,15,21,23H,5,7-8,11-14H2,1-4H3,(H,20,24)
InChIKeyYHENZGBMEXLDCF-UHFFFAOYSA-N
XLogP2.61
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.61
H-Bond Donors ≤ 53
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
1-N,3-N-bis[2-[decyl(methyl)amino]ethyl]benzene-1,3-dicarboxamide
CID 139953389
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
3-[3-[3-aminopropyl(methyl)amino]propylcarbamoyl]benzoic acid
CID 70661699
8-[(3-hydroxybenzoyl)amino]octanoic acid;2-methylbutan-2-amine
CID 175439236
N-ethyl-3-hydroxybenzamide
CID 13175248
3-N-[2-(dimethylamino)ethyl]-1-N-pentylbenzene-1,3-dicarboxamide
CID 109053176
3-hydroxy-N-(5-methylsulfanylpentyl)benzamide
CID 104927044
2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide
CID 51105782
N-(2-bromoethyl)-3-hydroxybenzamide
CID 114307478
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-hydroxybenzamide
CID 110026112
3-[(3-hydroxybenzoyl)amino]propanoic acid
CID 16773120

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[3-[methyl-[3-(2-methylbutan-2-ylamino)propyl]amino]propyl]benzamide?
The IUPAC name of 3-hydroxy-N-[3-[methyl-[3-(2-methylbutan-2-ylamino)propyl]amino]propyl]benzamide (CID 70661710) is 3-hydroxy-N-[3-[methyl-[3-(2-methylbutan-2-ylamino)propyl]amino]propyl]benzamide.
What is the SMILES notation for 3-hydroxy-N-[3-[methyl-[3-(2-methylbutan-2-ylamino)propyl]amino]propyl]benzamide?
The canonical SMILES for 3-hydroxy-N-[3-[methyl-[3-(2-methylbutan-2-ylamino)propyl]amino]propyl]benzamide is CCC(C)(C)NCCCN(C)CCCNC(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[3-[methyl-[3-(2-methylbutan-2-ylamino)propyl]amino]propyl]benzamide?
The InChIKey is YHENZGBMEXLDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-5-19(2,3)21-12-8-14-22(4)13-7-11-20-18(24)16-9-6-10-17(23)15-16/h6,9-10,15,21,23H,5,7-8,11-14H2,1-4H3,(H,20,24).
What are the key properties of 3-hydroxy-N-[3-[methyl-[3-(2-methylbutan-2-ylamino)propyl]amino]propyl]benzamide?
3-hydroxy-N-[3-[methyl-[3-(2-methylbutan-2-ylamino)propyl]amino]propyl]benzamide has a molecular weight of 335.49 g/mol, XLogP of 2.61, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[3-[methyl-[3-(2-methylbutan-2-ylamino)propyl]amino]propyl]benzamide is sourced from PubChem (CID 70661710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).