N-benzyl-N'-[(3-methylphenyl)methylideneamino]butanediamide

C19H21N3O2 — CID 3285949

IUPACN-benzyl-N'-[(3-methylphenyl)methylideneamino]butanediamide
SMILESCc1cccc(C=NNC(=O)CCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H21N3O2/c1-15-6-5-9-17(12-15)14-21-22-19(24)11-10-18(23)20-13-16-7-3-2-4-8-16/h2-9,12,14H,10-11,13H2,1H3,(H,20,23)(H,22,24)
InChIKeyGCNPLNQVINETFW-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.54
Rot. Bonds7

About N-benzyl-N'-[(3-methylphenyl)methylideneamino]butanediamide

N-benzyl-N'-[(3-methylphenyl)methylideneamino]butanediamide (PubChem CID 3285949) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-benzyl-N'-[(3-methylphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN-benzyl-N'-[(3-methylphenyl)methylideneamino]butanediamide
PubChem CID3285949
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-benzyl-N'-[(3-methylphenyl)methylideneamino]butanediamide
SMILESCc1cccc(C=NNC(=O)CCC(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H21N3O2/c1-15-6-5-9-17(12-15)14-21-22-19(24)11-10-18(23)20-13-16-7-3-2-4-8-16/h2-9,12,14H,10-11,13H2,1H3,(H,20,23)(H,22,24)
InChIKeyGCNPLNQVINETFW-UHFFFAOYSA-N
XLogP2.54
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N'-[(E)-benzylideneamino]hexanediamide
CID 56689025
N'-[(3-methylphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
CID 23723111
N-benzyl-N'-[(3,4,5-trimethoxyphenyl)methylideneamino]butanediamide
CID 3813231
N'-(ethenylideneamino)-N-[(E)-(3-methylphenyl)methylideneamino]hexanediamide
CID 176543341
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273
2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 3714192
N-benzyl-N'-[(4-chloro-3-nitrophenyl)methylideneamino]butanediamide
CID 3282009
N-benzyl-N'-(2-methylpropylideneamino)butanediamide
CID 4924753
N-[(E)-benzylideneamino]butanamide
CID 6872028
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
N'-[(3-methylphenyl)methylideneamino]-N-prop-2-enylpropanediamide
CID 15945666
N-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide
CID 33278184

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[(3-methylphenyl)methylideneamino]butanediamide?
The IUPAC name of N-benzyl-N'-[(3-methylphenyl)methylideneamino]butanediamide (CID 3285949) is N-benzyl-N'-[(3-methylphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N-benzyl-N'-[(3-methylphenyl)methylideneamino]butanediamide?
The canonical SMILES for N-benzyl-N'-[(3-methylphenyl)methylideneamino]butanediamide is Cc1cccc(C=NNC(=O)CCC(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-N'-[(3-methylphenyl)methylideneamino]butanediamide?
The InChIKey is GCNPLNQVINETFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-15-6-5-9-17(12-15)14-21-22-19(24)11-10-18(23)20-13-16-7-3-2-4-8-16/h2-9,12,14H,10-11,13H2,1H3,(H,20,23)(H,22,24).
What are the key properties of N-benzyl-N'-[(3-methylphenyl)methylideneamino]butanediamide?
N-benzyl-N'-[(3-methylphenyl)methylideneamino]butanediamide has a molecular weight of 323.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[(3-methylphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 3285949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).