N-[2-(1-aminoethyl)phenyl]-3-hydroxy-4-methoxybenzamide

C16H18N2O3 — CID 79737436

IUPACN-[2-(1-aminoethyl)phenyl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(C)N)cc1O
InChIInChI=1S/C16H18N2O3/c1-10(17)12-5-3-4-6-13(12)18-16(20)11-7-8-15(21-2)14(19)9-11/h3-10,19H,17H2,1-2H3,(H,18,20)
InChIKeyQTLMWROCMSXKLM-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.67
Rot. Bonds4

About N-[2-(1-aminoethyl)phenyl]-3-hydroxy-4-methoxybenzamide

N-[2-(1-aminoethyl)phenyl]-3-hydroxy-4-methoxybenzamide (PubChem CID 79737436) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-(1-aminoethyl)phenyl]-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-aminoethyl)phenyl]-3-hydroxy-4-methoxybenzamide
PubChem CID79737436
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[2-(1-aminoethyl)phenyl]-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(C)N)cc1O
InChIInChI=1S/C16H18N2O3/c1-10(17)12-5-3-4-6-13(12)18-16(20)11-7-8-15(21-2)14(19)9-11/h3-10,19H,17H2,1-2H3,(H,18,20)
InChIKeyQTLMWROCMSXKLM-UHFFFAOYSA-N
XLogP2.67
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-4-methoxy-N-(2-methoxyphenyl)benzamide
CID 79600198
N-(2-ethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600914
4-(1-aminoethyl)-N-(2-methoxyphenyl)benzamide
CID 82023811
N-[2-(1-chloroethyl)phenyl]-4-fluoro-3-methoxybenzamide
CID 114304802
N-(2,4-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79600823
N-(3-aminophenyl)-3-hydroxy-4-methoxybenzamide
CID 79726483
3-hydroxy-N-(3-iodophenyl)-4-methoxybenzamide
CID 79672942
N-[2-(1-chloroethyl)phenyl]-3-hydroxy-4-methylbenzamide
CID 114304843
N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 79725587
N-(2,5-dichloro-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 104727379
N-(2-bromo-5-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 82757838
3-hydroxy-4-methoxy-N-(2,3,5-trifluorophenyl)benzamide
CID 79735123

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethyl)phenyl]-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[2-(1-aminoethyl)phenyl]-3-hydroxy-4-methoxybenzamide (CID 79737436) is N-[2-(1-aminoethyl)phenyl]-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[2-(1-aminoethyl)phenyl]-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[2-(1-aminoethyl)phenyl]-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccccc2C(C)N)cc1O.
What is the InChIKey of N-[2-(1-aminoethyl)phenyl]-3-hydroxy-4-methoxybenzamide?
The InChIKey is QTLMWROCMSXKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10(17)12-5-3-4-6-13(12)18-16(20)11-7-8-15(21-2)14(19)9-11/h3-10,19H,17H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(1-aminoethyl)phenyl]-3-hydroxy-4-methoxybenzamide?
N-[2-(1-aminoethyl)phenyl]-3-hydroxy-4-methoxybenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminoethyl)phenyl]-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 79737436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).