N-[3-(3-aminopropyl)phenyl]-4-hydroxy-3-methylbenzamide

C17H20N2O2 — CID 107673369

IUPACN-[3-(3-aminopropyl)phenyl]-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cccc(CCCN)c2)ccc1O
InChIInChI=1S/C17H20N2O2/c1-12-10-14(7-8-16(12)20)17(21)19-15-6-2-4-13(11-15)5-3-9-18/h2,4,6-8,10-11,20H,3,5,9,18H2,1H3,(H,19,21)
InChIKeyIDTWIMBQKBIEKQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.84
Rot. Bonds5

About N-[3-(3-aminopropyl)phenyl]-4-hydroxy-3-methylbenzamide

N-[3-(3-aminopropyl)phenyl]-4-hydroxy-3-methylbenzamide (PubChem CID 107673369) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[3-(3-aminopropyl)phenyl]-4-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(3-aminopropyl)phenyl]-4-hydroxy-3-methylbenzamide
PubChem CID107673369
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-[3-(3-aminopropyl)phenyl]-4-hydroxy-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2cccc(CCCN)c2)ccc1O
InChIInChI=1S/C17H20N2O2/c1-12-10-14(7-8-16(12)20)17(21)19-15-6-2-4-13(11-15)5-3-9-18/h2,4,6-8,10-11,20H,3,5,9,18H2,1H3,(H,19,21)
InChIKeyIDTWIMBQKBIEKQ-UHFFFAOYSA-N
XLogP2.84
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-[(3,4-dimethylbenzoyl)amino]phenyl]propyl acetate
CID 75477339
N-(3-acetylphenyl)-4-hydroxy-3-methylbenzamide
CID 103955356
N-(4-butylphenyl)-4-hydroxy-3-methylbenzamide
CID 107676610
1-[3-(3-aminopropyl)phenyl]-3-methylurea
CID 89494810
4-hydroxy-3-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 103955327
3-hydroxy-4-methyl-N-[3-(methylaminomethyl)phenyl]benzamide
CID 43601854
N-(3-amino-4-fluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107672026
4-hydroxy-3-methyl-N-[3-[1-(methylamino)ethyl]phenyl]benzamide
CID 107675620
4-chloro-N-[3-(chloromethyl)phenyl]-3-methylbenzamide
CID 113397345
3-amino-N-(3-ethylphenyl)-4-methylbenzamide
CID 16793362
4-hydroxy-3-methyl-N-[2-(3-methylphenyl)ethyl]benzamide
CID 103951860
N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 79725587

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropyl)phenyl]-4-hydroxy-3-methylbenzamide?
The IUPAC name of N-[3-(3-aminopropyl)phenyl]-4-hydroxy-3-methylbenzamide (CID 107673369) is N-[3-(3-aminopropyl)phenyl]-4-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[3-(3-aminopropyl)phenyl]-4-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[3-(3-aminopropyl)phenyl]-4-hydroxy-3-methylbenzamide is Cc1cc(C(=O)Nc2cccc(CCCN)c2)ccc1O.
What is the InChIKey of N-[3-(3-aminopropyl)phenyl]-4-hydroxy-3-methylbenzamide?
The InChIKey is IDTWIMBQKBIEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-10-14(7-8-16(12)20)17(21)19-15-6-2-4-13(11-15)5-3-9-18/h2,4,6-8,10-11,20H,3,5,9,18H2,1H3,(H,19,21).
What are the key properties of N-[3-(3-aminopropyl)phenyl]-4-hydroxy-3-methylbenzamide?
N-[3-(3-aminopropyl)phenyl]-4-hydroxy-3-methylbenzamide has a molecular weight of 284.36 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropyl)phenyl]-4-hydroxy-3-methylbenzamide is sourced from PubChem (CID 107673369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).