N-[4-(aminomethyl)-2-methoxyphenyl]-3,5-dihydroxybenzamide

C15H16N2O4 — CID 107702112

IUPACN-[4-(aminomethyl)-2-methoxyphenyl]-3,5-dihydroxybenzamide
SMILESCOc1cc(CN)ccc1NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C15H16N2O4/c1-21-14-4-9(8-16)2-3-13(14)17-15(20)10-5-11(18)7-12(19)6-10/h2-7,18-19H,8,16H2,1H3,(H,17,20)
InChIKeyKIPZCXDHHWJRNX-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.82
Rot. Bonds4

About N-[4-(aminomethyl)-2-methoxyphenyl]-3,5-dihydroxybenzamide

N-[4-(aminomethyl)-2-methoxyphenyl]-3,5-dihydroxybenzamide (PubChem CID 107702112) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-methoxyphenyl]-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-methoxyphenyl]-3,5-dihydroxybenzamide
PubChem CID107702112
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-[4-(aminomethyl)-2-methoxyphenyl]-3,5-dihydroxybenzamide
SMILESCOc1cc(CN)ccc1NC(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C15H16N2O4/c1-21-14-4-9(8-16)2-3-13(14)17-15(20)10-5-11(18)7-12(19)6-10/h2-7,18-19H,8,16H2,1H3,(H,17,20)
InChIKeyKIPZCXDHHWJRNX-UHFFFAOYSA-N
XLogP1.82
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(aminomethyl)-2-methoxyphenyl]-3-hydroxy-2-methylbenzamide
CID 104847667
1-[4-(aminomethyl)-2-methoxyphenyl]-3-tert-butylurea
CID 113460330
3-[4-(aminomethyl)-2-methoxyphenyl]-1,1-diethylurea
CID 104848503
1-[4-(aminomethyl)-2-methoxyphenyl]-3-(4-fluorophenyl)urea
CID 104848502
N-[4-(aminomethyl)-2-methoxyphenyl]azepane-1-carboxamide
CID 104848512
N-(2,4-dimethoxyphenyl)-3-hydroxybenzamide
CID 19256865
N-[4-(aminomethyl)-2-methoxyphenyl]-2-cyclohexylacetamide
CID 104847616
N-[2-(aminomethyl)phenyl]-3,5-dihydroxybenzamide
CID 107705031
[5-(aminomethyl)-2-benzamidophenyl] formate
CID 174974029
N-[4-(aminomethyl)-2-methoxyphenyl]thieno[3,2-b]pyridine-7-carboxamide
CID 166361501
N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide
CID 4537878
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-methoxyphenyl]-3,5-dihydroxybenzamide?
The IUPAC name of N-[4-(aminomethyl)-2-methoxyphenyl]-3,5-dihydroxybenzamide (CID 107702112) is N-[4-(aminomethyl)-2-methoxyphenyl]-3,5-dihydroxybenzamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-methoxyphenyl]-3,5-dihydroxybenzamide?
The canonical SMILES for N-[4-(aminomethyl)-2-methoxyphenyl]-3,5-dihydroxybenzamide is COc1cc(CN)ccc1NC(=O)c1cc(O)cc(O)c1.
What is the InChIKey of N-[4-(aminomethyl)-2-methoxyphenyl]-3,5-dihydroxybenzamide?
The InChIKey is KIPZCXDHHWJRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-21-14-4-9(8-16)2-3-13(14)17-15(20)10-5-11(18)7-12(19)6-10/h2-7,18-19H,8,16H2,1H3,(H,17,20).
What are the key properties of N-[4-(aminomethyl)-2-methoxyphenyl]-3,5-dihydroxybenzamide?
N-[4-(aminomethyl)-2-methoxyphenyl]-3,5-dihydroxybenzamide has a molecular weight of 288.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-methoxyphenyl]-3,5-dihydroxybenzamide is sourced from PubChem (CID 107702112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).