N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide

C11H16N2O2 — CID 107670534

IUPACN-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCCCN
InChIInChI=1S/C11H16N2O2/c1-8-7-9(14)3-4-10(8)11(15)13-6-2-5-12/h3-4,7,14H,2,5-6,12H2,1H3,(H,13,15)
InChIKeyULGQZEFYBNGHBM-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.78
Rot. Bonds4

About N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide

N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide (PubChem CID 107670534) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
PubChem CID107670534
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-(3-aminopropyl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCCCN
InChIInChI=1S/C11H16N2O2/c1-8-7-9(14)3-4-10(8)11(15)13-6-2-5-12/h3-4,7,14H,2,5-6,12H2,1H3,(H,13,15)
InChIKeyULGQZEFYBNGHBM-UHFFFAOYSA-N
XLogP0.78
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.78
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-(4-chlorobutyl)-4-hydroxy-2-methylbenzamide
CID 107673272
N-[3-(dimethylamino)propyl]-4-hydroxy-2-methylbenzamide
CID 103863454
N-(4-cyanobutyl)-4-hydroxy-2-methylbenzamide
CID 103865446
5-[(4-hydroxy-2-methylbenzoyl)amino]-2-methylpentanoic acid
CID 107670917
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
4-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]benzamide
CID 103863566
N-[[4-(aminomethyl)phenyl]methyl]-4-hydroxy-2-methylbenzamide
CID 107670516
N-(2-amino-2-sulfanylideneethyl)-4-hydroxy-2-methylbenzamide
CID 107671452
N-(3-aminopropyl)-4-hydroxy-N,2-dimethylbenzamide
CID 107670497
N-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl]-2,5-dihydroxybenzamide
CID 101205069
4-hydroxy-2-methyl-N-[2-(2-methylphenyl)ethyl]benzamide
CID 103865108
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide (CID 107670534) is N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide?
The InChIKey is ULGQZEFYBNGHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-7-9(14)3-4-10(8)11(15)13-6-2-5-12/h3-4,7,14H,2,5-6,12H2,1H3,(H,13,15).
What are the key properties of N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide?
N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide has a molecular weight of 208.26 g/mol, XLogP of 0.78, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 107670534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).