N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide

C18H22N2O3 — CID 16778324

IUPACN-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(CN)c2)cc1OCC
InChIInChI=1S/C18H22N2O3/c1-3-22-16-9-8-14(11-17(16)23-4-2)18(21)20-15-7-5-6-13(10-15)12-19/h5-11H,3-4,12,19H2,1-2H3,(H,20,21)
InChIKeyXKXMSJZECPPJRN-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.19
Rot. Bonds7

About N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide

N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide (PubChem CID 16778324) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide
PubChem CID16778324
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2cccc(CN)c2)cc1OCC
InChIInChI=1S/C18H22N2O3/c1-3-22-16-9-8-14(11-17(16)23-4-2)18(21)20-15-7-5-6-13(10-15)12-19/h5-11H,3-4,12,19H2,1-2H3,(H,20,21)
InChIKeyXKXMSJZECPPJRN-UHFFFAOYSA-N
XLogP3.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-3-hydroxy-4-methoxybenzamide
CID 79725587
3-ethoxy-N-(3-hydroxyphenyl)-4-phenylmethoxybenzamide
CID 126089788
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide
CID 38374458
N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide
CID 2192184
4-(aminomethyl)-N-(4-ethoxy-3-fluorophenyl)benzamide
CID 115733832
N-(3-acetamidophenyl)-3-ethoxy-4-propoxybenzamide
CID 26103323
N-[3-(aminomethyl)phenyl]-4-butoxybenzamide
CID 24692929
N-(3-acetamidophenyl)-4-ethoxy-3-methoxybenzamide
CID 26103493
N-(4-aminophenyl)-3,4-diethoxybenzamide
CID 16776636
4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
CID 119265999
4-ethoxy-3-methyl-N-[3-(propan-2-yloxymethyl)phenyl]benzamide
CID 86938203

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide (CID 16778324) is N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)Nc2cccc(CN)c2)cc1OCC.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide?
The InChIKey is XKXMSJZECPPJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-22-16-9-8-14(11-17(16)23-4-2)18(21)20-15-7-5-6-13(10-15)12-19/h5-11H,3-4,12,19H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide?
N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide has a molecular weight of 314.39 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 16778324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).