N-[3-[bis(2-methylpropyl)amino]propyl]-2-hydroxybenzamide

C18H30N2O2 — CID 59345613

IUPACN-[3-[bis(2-methylpropyl)amino]propyl]-2-hydroxybenzamide
SMILESCC(C)CN(CCCNC(=O)c1ccccc1O)CC(C)C
InChIInChI=1S/C18H30N2O2/c1-14(2)12-20(13-15(3)4)11-7-10-19-18(22)16-8-5-6-9-17(16)21/h5-6,8-9,14-15,21H,7,10-13H2,1-4H3,(H,19,22)
InChIKeyZMGCSHPUANWZCO-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.13
Rot. Bonds9

About N-[3-[bis(2-methylpropyl)amino]propyl]-2-hydroxybenzamide

N-[3-[bis(2-methylpropyl)amino]propyl]-2-hydroxybenzamide (PubChem CID 59345613) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[3-[bis(2-methylpropyl)amino]propyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[3-[bis(2-methylpropyl)amino]propyl]-2-hydroxybenzamide
PubChem CID59345613
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[3-[bis(2-methylpropyl)amino]propyl]-2-hydroxybenzamide
SMILESCC(C)CN(CCCNC(=O)c1ccccc1O)CC(C)C
InChIInChI=1S/C18H30N2O2/c1-14(2)12-20(13-15(3)4)11-7-10-19-18(22)16-8-5-6-9-17(16)21/h5-6,8-9,14-15,21H,7,10-13H2,1-4H3,(H,19,22)
InChIKeyZMGCSHPUANWZCO-UHFFFAOYSA-N
XLogP3.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-hydroxybenzoyl)amino]-2-methylpentanoic acid
CID 104681612
2-hydroxy-N-(2-methylpropyl)benzamide
CID 22947326
N-[2-(diethylamino)ethyl]-2-hydroxybenzamide;hydrochloride
CID 21331721
2-hydroxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657877
3-[(2-hydroxybenzoyl)amino]propyl-trimethylazanium iodide
CID 17387279
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338
N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxybenzamide
CID 62634614
2-hydroxy-N-(10-oxoundecyl)benzamide
CID 21335630
2-hydroxy-N-[2-[2-[2-[(2-hydroxybenzoyl)amino]ethylamino]ethylamino]ethyl]benzamide
CID 101177175
N-[3-[bis(2-methylpropyl)amino]propyl]-2-(4-chlorophenyl)sulfanylquinoline-4-carboxamide
CID 4077347
2-hydroxy-N-[8-(methylamino)-8-oxooctyl]benzamide
CID 167022462
2-(methylamino)-N-(4-methylpentyl)benzamide
CID 61377674

Frequently Asked Questions

What is the IUPAC name of N-[3-[bis(2-methylpropyl)amino]propyl]-2-hydroxybenzamide?
The IUPAC name of N-[3-[bis(2-methylpropyl)amino]propyl]-2-hydroxybenzamide (CID 59345613) is N-[3-[bis(2-methylpropyl)amino]propyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[3-[bis(2-methylpropyl)amino]propyl]-2-hydroxybenzamide?
The canonical SMILES for N-[3-[bis(2-methylpropyl)amino]propyl]-2-hydroxybenzamide is CC(C)CN(CCCNC(=O)c1ccccc1O)CC(C)C.
What is the InChIKey of N-[3-[bis(2-methylpropyl)amino]propyl]-2-hydroxybenzamide?
The InChIKey is ZMGCSHPUANWZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-14(2)12-20(13-15(3)4)11-7-10-19-18(22)16-8-5-6-9-17(16)21/h5-6,8-9,14-15,21H,7,10-13H2,1-4H3,(H,19,22).
What are the key properties of N-[3-[bis(2-methylpropyl)amino]propyl]-2-hydroxybenzamide?
N-[3-[bis(2-methylpropyl)amino]propyl]-2-hydroxybenzamide has a molecular weight of 306.45 g/mol, XLogP of 3.13, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[bis(2-methylpropyl)amino]propyl]-2-hydroxybenzamide is sourced from PubChem (CID 59345613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).