N-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate

C15H19N2O3V- — CID 25062030

IUPACN-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate
SMILESNCc1cccc(CNC(=O)c2ccccc2)c1.O.[OH-].[V]
InChIInChI=1S/C15H16N2O.2H2O.V/c16-10-12-5-4-6-13(9-12)11-17-15(18)14-7-2-1-3-8-14;;;/h1-9H,10-11,16H2,(H,17,18);2*1H2;/p-1
InChIKeyIIERUMHLJYSVNK-UHFFFAOYSA-M
MW326.27 g/mol
LogP1.07
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate

N-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate (PubChem CID 25062030) has the molecular formula C15H19N2O3V- and a molecular weight of 326.27 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate
PubChem CID25062030
Molecular FormulaC15H19N2O3V-
Molecular Weight326.27 g/mol
Exact Mass326.08
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate
SMILESNCc1cccc(CNC(=O)c2ccccc2)c1.O.[OH-].[V]
InChIInChI=1S/C15H16N2O.2H2O.V/c16-10-12-5-4-6-13(9-12)11-17-15(18)14-7-2-1-3-8-14;;;/h1-9H,10-11,16H2,(H,17,18);2*1H2;/p-1
InChIKeyIIERUMHLJYSVNK-UHFFFAOYSA-M
XLogP1.07
TPSA116.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
N-[[3-(aminomethyl)phenyl]methyl]propanamide;vanadium;hydrate
CID 25061500
N-[(3-tert-butylphenyl)methyl]benzamide
CID 58788636
3-(2-aminoethyl)-N-benzylbenzamide
CID 62591363
3-[[(4-phenylbenzoyl)amino]methyl]benzoic acid
CID 108767634
3-N,6-N-bis[[3-(aminomethyl)phenyl]methyl]-1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxamide
CID 59153726
3-[[(4-aminobenzoyl)amino]methyl]benzoic acid
CID 61162089
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 18070244
3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide
CID 115161179
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate (CID 25062030) is N-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate is NCc1cccc(CNC(=O)c2ccccc2)c1.O.[OH-].[V].
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate?
The InChIKey is IIERUMHLJYSVNK-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16N2O.2H2O.V/c16-10-12-5-4-6-13(9-12)11-17-15(18)14-7-2-1-3-8-14;;;/h1-9H,10-11,16H2,(H,17,18);2*1H2;/p-1.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate?
N-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate has a molecular weight of 326.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]benzamide;vanadium;hydroxide;hydrate is sourced from PubChem (CID 25062030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).