N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide

C13H20N2O3 — CID 106122205

IUPACN-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCC(C)N)cc1O
InChIInChI=1S/C13H20N2O3/c1-9(14)4-3-7-15-13(17)10-5-6-12(18-2)11(16)8-10/h5-6,8-9,16H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyHNEXQYSILFHOFG-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.26
Rot. Bonds6

About N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide

N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide (PubChem CID 106122205) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide
PubChem CID106122205
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC NameN-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCC(C)N)cc1O
InChIInChI=1S/C13H20N2O3/c1-9(14)4-3-7-15-13(17)10-5-6-12(18-2)11(16)8-10/h5-6,8-9,16H,3-4,7,14H2,1-2H3,(H,15,17)
InChIKeyHNEXQYSILFHOFG-UHFFFAOYSA-N
XLogP1.26
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.26
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

N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930
N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide
CID 114151462
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
N-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide
CID 106307767
N-(5-amino-5-hydroxyiminopentyl)-3-hydroxy-4-methoxybenzamide
CID 79733246
N-(4-chloropentyl)-3,4-dimethoxybenzamide
CID 106129860
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
N-(3-chloro-4-methoxybutyl)-3-hydroxy-4-methoxybenzamide
CID 106244636
N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79733239
4-amino-3-methoxy-N-(4-methylpentyl)benzamide
CID 104782675
N-(4-aminopentyl)naphthalene-2-carboxamide
CID 106122722

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide (CID 106122205) is N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NCCCC(C)N)cc1O.
What is the InChIKey of N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide?
The InChIKey is HNEXQYSILFHOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9(14)4-3-7-15-13(17)10-5-6-12(18-2)11(16)8-10/h5-6,8-9,16H,3-4,7,14H2,1-2H3,(H,15,17).
What are the key properties of N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide?
N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide has a molecular weight of 252.31 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 106122205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).