N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide

C15H16N2O3 — CID 79725587

IUPACN-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CN)c2)cc1O
InChIInChI=1S/C15H16N2O3/c1-20-14-6-5-11(8-13(14)18)15(19)17-12-4-2-3-10(7-12)9-16/h2-8,18H,9,16H2,1H3,(H,17,19)
InChIKeyNVRKGIFKCIOKHN-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.11
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide

N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide (PubChem CID 79725587) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
PubChem CID79725587
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(CN)c2)cc1O
InChIInChI=1S/C15H16N2O3/c1-20-14-6-5-11(8-13(14)18)15(19)17-12-4-2-3-10(7-12)9-16/h2-8,18H,9,16H2,1H3,(H,17,19)
InChIKeyNVRKGIFKCIOKHN-UHFFFAOYSA-N
XLogP2.11
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726483
N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide
CID 16778324
3-hydroxy-N-(3-iodophenyl)-4-methoxybenzamide
CID 79672942
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
N-[3-(aminomethyl)phenyl]-3-hydroxybenzamide
CID 16772041
N-[3-(aminomethyl)phenyl]-5-chloro-2-methoxybenzamide
CID 63254170
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
N-[4-(bromomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 114310808
N-(3-amino-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79726156
N-[4-(chloromethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 114299769
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
N-(3,5-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600826

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide (CID 79725587) is N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(CN)c2)cc1O.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide?
The InChIKey is NVRKGIFKCIOKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-20-14-6-5-11(8-13(14)18)15(19)17-12-4-2-3-10(7-12)9-16/h2-8,18H,9,16H2,1H3,(H,17,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide?
N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide has a molecular weight of 272.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 79725587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).