N-(3-hydroxypropyl)-2-(propylamino)benzamide

C13H20N2O2 — CID 55178627

IUPACN-(3-hydroxypropyl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NCCCO
InChIInChI=1S/C13H20N2O2/c1-2-8-14-12-7-4-3-6-11(12)13(17)15-9-5-10-16/h3-4,6-7,14,16H,2,5,8-10H2,1H3,(H,15,17)
InChIKeyVBMHDZPWANKOAP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.62
Rot. Bonds7

About N-(3-hydroxypropyl)-2-(propylamino)benzamide

N-(3-hydroxypropyl)-2-(propylamino)benzamide (PubChem CID 55178627) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-(propylamino)benzamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-(propylamino)benzamide
PubChem CID55178627
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(3-hydroxypropyl)-2-(propylamino)benzamide
SMILESCCCNc1ccccc1C(=O)NCCCO
InChIInChI=1S/C13H20N2O2/c1-2-8-14-12-7-4-3-6-11(12)13(17)15-9-5-10-16/h3-4,6-7,14,16H,2,5,8-10H2,1H3,(H,15,17)
InChIKeyVBMHDZPWANKOAP-UHFFFAOYSA-N
XLogP1.62
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propyl]-2-(propylamino)benzamide
CID 62165335
3-[[2-(propylamino)benzoyl]amino]propanoic acid
CID 63107977
2-(2-bromoethylamino)-N-propylbenzamide
CID 11066007
N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide
CID 62178281
N-(2-chloroprop-2-enyl)-2-(propylamino)benzamide
CID 113464736
N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide
CID 62179332
2-(benzylamino)-N-butylbenzamide
CID 86102037
N-(2-fluorophenyl)-2-(propylamino)benzamide
CID 62166035
2-hydrazinyl-N-propylbenzamide
CID 62238054
N-butyl-2-(prop-2-enylamino)benzamide
CID 71540981
N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide
CID 62175413
N-(4-aminobutyl)-2-(ethylamino)benzamide
CID 55178434

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-(propylamino)benzamide?
The IUPAC name of N-(3-hydroxypropyl)-2-(propylamino)benzamide (CID 55178627) is N-(3-hydroxypropyl)-2-(propylamino)benzamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-(propylamino)benzamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-(propylamino)benzamide is CCCNc1ccccc1C(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-2-(propylamino)benzamide?
The InChIKey is VBMHDZPWANKOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-8-14-12-7-4-3-6-11(12)13(17)15-9-5-10-16/h3-4,6-7,14,16H,2,5,8-10H2,1H3,(H,15,17).
What are the key properties of N-(3-hydroxypropyl)-2-(propylamino)benzamide?
N-(3-hydroxypropyl)-2-(propylamino)benzamide has a molecular weight of 236.31 g/mol, XLogP of 1.62, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-(propylamino)benzamide is sourced from PubChem (CID 55178627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).