N-(2-aminophenyl)acetamide;N-(2-aminophenyl)-6-methylheptanamide;2-methanidylpropane;vanadium(2+)

C26H40N4O2V — CID 163795898

IUPACN-(2-aminophenyl)acetamide;N-(2-aminophenyl)-6-methylheptanamide;2-methanidylpropane;vanadium(2+)
SMILESCC(C)CCCCC(=O)Nc1ccccc1N.[CH2-]C(=O)Nc1ccccc1N.[CH2-]C(C)C.[V+2]
InChIInChI=1S/C14H22N2O.C8H9N2O.C4H9.V/c1-11(2)7-3-6-10-14(17)16-13-9-5-4-8-12(13)15;1-6(11)10-8-5-3-2-4-7(8)9;1-4(2)3;/h4-5,8-9,11H,3,6-7,10,15H2,1-2H3,(H,16,17);2-5H,1,9H2,(H,10,11);4H,1H2,2-3H3;/q;2*-1;+2
InChIKeyNATNCGYPLGMTFL-UHFFFAOYSA-N
MW491.58 g/mol
LogP5.94
Rot. Bonds7

About N-(2-aminophenyl)acetamide;N-(2-aminophenyl)-6-methylheptanamide;2-methanidylpropane;vanadium(2+)

N-(2-aminophenyl)acetamide;N-(2-aminophenyl)-6-methylheptanamide;2-methanidylpropane;vanadium(2+) (PubChem CID 163795898) has the molecular formula C26H40N4O2V and a molecular weight of 491.58 g/mol. Its IUPAC name is N-(2-aminophenyl)acetamide;N-(2-aminophenyl)-6-methylheptanamide;2-methanidylpropane;vanadium(2+).

Molecular Properties

Compound NameN-(2-aminophenyl)acetamide;N-(2-aminophenyl)-6-methylheptanamide;2-methanidylpropane;vanadium(2+)
PubChem CID163795898
Molecular FormulaC26H40N4O2V
Molecular Weight491.58 g/mol
Exact Mass491.26
IUPAC NameN-(2-aminophenyl)acetamide;N-(2-aminophenyl)-6-methylheptanamide;2-methanidylpropane;vanadium(2+)
SMILESCC(C)CCCCC(=O)Nc1ccccc1N.[CH2-]C(=O)Nc1ccccc1N.[CH2-]C(C)C.[V+2]
InChIInChI=1S/C14H22N2O.C8H9N2O.C4H9.V/c1-11(2)7-3-6-10-14(17)16-13-9-5-4-8-12(13)15;1-6(11)10-8-5-3-2-4-7(8)9;1-4(2)3;/h4-5,8-9,11H,3,6-7,10,15H2,1-2H3,(H,16,17);2-5H,1,9H2,(H,10,11);4H,1H2,2-3H3;/q;2*-1;+2
InChIKeyNATNCGYPLGMTFL-UHFFFAOYSA-N
XLogP5.94
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.58
LogP ≤ 55.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminophenyl)acetamide;2-methanidylpropane;vanadium(2+)
CID 153457478
N-(2-aminophenyl)-4-[methyl(3-methylbutyl)amino]butanamide
CID 61425903
N-(2-aminophenyl)-4-[methyl(2-methylpropyl)amino]butanamide
CID 43271740
N-(2-aminophenyl)octadecanamide
CID 68839220
N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide
CID 43273334
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437
N-(2-aminophenyl)-7-oxoheptanamide
CID 143955349
N-(2-aminophenyl)-4-methylsulfanylbutanamide;hydrochloride
CID 119422835
N-(2-aminophenyl)-4-(3-methylbutan-2-ylsulfinyl)butanamide
CID 107753701
N-(2-aminophenyl)-7-oxo-7-phenylheptanamide
CID 155558642
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
N-(2-aminophenyl)-4-butan-2-ylsulfonylbutanamide
CID 43444541

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)acetamide;N-(2-aminophenyl)-6-methylheptanamide;2-methanidylpropane;vanadium(2+)?
The IUPAC name of N-(2-aminophenyl)acetamide;N-(2-aminophenyl)-6-methylheptanamide;2-methanidylpropane;vanadium(2+) (CID 163795898) is N-(2-aminophenyl)acetamide;N-(2-aminophenyl)-6-methylheptanamide;2-methanidylpropane;vanadium(2+).
What is the SMILES notation for N-(2-aminophenyl)acetamide;N-(2-aminophenyl)-6-methylheptanamide;2-methanidylpropane;vanadium(2+)?
The canonical SMILES for N-(2-aminophenyl)acetamide;N-(2-aminophenyl)-6-methylheptanamide;2-methanidylpropane;vanadium(2+) is CC(C)CCCCC(=O)Nc1ccccc1N.[CH2-]C(=O)Nc1ccccc1N.[CH2-]C(C)C.[V+2].
What is the InChIKey of N-(2-aminophenyl)acetamide;N-(2-aminophenyl)-6-methylheptanamide;2-methanidylpropane;vanadium(2+)?
The InChIKey is NATNCGYPLGMTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O.C8H9N2O.C4H9.V/c1-11(2)7-3-6-10-14(17)16-13-9-5-4-8-12(13)15;1-6(11)10-8-5-3-2-4-7(8)9;1-4(2)3;/h4-5,8-9,11H,3,6-7,10,15H2,1-2H3,(H,16,17);2-5H,1,9H2,(H,10,11);4H,1H2,2-3H3;/q;2*-1;+2.
What are the key properties of N-(2-aminophenyl)acetamide;N-(2-aminophenyl)-6-methylheptanamide;2-methanidylpropane;vanadium(2+)?
N-(2-aminophenyl)acetamide;N-(2-aminophenyl)-6-methylheptanamide;2-methanidylpropane;vanadium(2+) has a molecular weight of 491.58 g/mol, XLogP of 5.94, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)acetamide;N-(2-aminophenyl)-6-methylheptanamide;2-methanidylpropane;vanadium(2+) is sourced from PubChem (CID 163795898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).