N-[4-(aminomethyl)phenyl]-4-ethoxy-2-hydroxybenzamide

C16H18N2O3 — CID 70683145

IUPACN-[4-(aminomethyl)phenyl]-4-ethoxy-2-hydroxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(CN)cc2)c(O)c1
InChIInChI=1S/C16H18N2O3/c1-2-21-13-7-8-14(15(19)9-13)16(20)18-12-5-3-11(10-17)4-6-12/h3-9,19H,2,10,17H2,1H3,(H,18,20)
InChIKeyLSCDASKRTAGEIR-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.50
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-4-ethoxy-2-hydroxybenzamide

N-[4-(aminomethyl)phenyl]-4-ethoxy-2-hydroxybenzamide (PubChem CID 70683145) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-4-ethoxy-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-4-ethoxy-2-hydroxybenzamide
PubChem CID70683145
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[4-(aminomethyl)phenyl]-4-ethoxy-2-hydroxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(CN)cc2)c(O)c1
InChIInChI=1S/C16H18N2O3/c1-2-21-13-7-8-14(15(19)9-13)16(20)18-12-5-3-11(10-17)4-6-12/h3-9,19H,2,10,17H2,1H3,(H,18,20)
InChIKeyLSCDASKRTAGEIR-UHFFFAOYSA-N
XLogP2.50
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-4-ethoxy-2-hydroxybenzamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-4-ethoxy-2-hydroxybenzamide (CID 70683145) is N-[4-(aminomethyl)phenyl]-4-ethoxy-2-hydroxybenzamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-4-ethoxy-2-hydroxybenzamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-4-ethoxy-2-hydroxybenzamide is CCOc1ccc(C(=O)Nc2ccc(CN)cc2)c(O)c1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-4-ethoxy-2-hydroxybenzamide?
The InChIKey is LSCDASKRTAGEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-21-13-7-8-14(15(19)9-13)16(20)18-12-5-3-11(10-17)4-6-12/h3-9,19H,2,10,17H2,1H3,(H,18,20).
What are the key properties of N-[4-(aminomethyl)phenyl]-4-ethoxy-2-hydroxybenzamide?
N-[4-(aminomethyl)phenyl]-4-ethoxy-2-hydroxybenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-4-ethoxy-2-hydroxybenzamide is sourced from PubChem (CID 70683145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).