N'-[(3-methylphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide

C19H21N3O2 — CID 23723111

IUPACN'-[(3-methylphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
SMILESCc1cccc(C=NNC(=O)CC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C19H21N3O2/c1-15-6-5-9-17(12-15)14-21-22-19(24)13-18(23)20-11-10-16-7-3-2-4-8-16/h2-9,12,14H,10-11,13H2,1H3,(H,20,23)(H,22,24)
InChIKeyUTJGANZTCGNAQC-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.19
Rot. Bonds7

About N'-[(3-methylphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide

N'-[(3-methylphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide (PubChem CID 23723111) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N'-[(3-methylphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide.

Molecular Properties

Compound NameN'-[(3-methylphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
PubChem CID23723111
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN'-[(3-methylphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
SMILESCc1cccc(C=NNC(=O)CC(=O)NCCc2ccccc2)c1
InChIInChI=1S/C19H21N3O2/c1-15-6-5-9-17(12-15)14-21-22-19(24)13-18(23)20-11-10-16-7-3-2-4-8-16/h2-9,12,14H,10-11,13H2,1H3,(H,20,23)(H,22,24)
InChIKeyUTJGANZTCGNAQC-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(benzylideneamino)-N-(2-phenylethyl)propanediamide
CID 3102448
N-benzyl-N'-[(3-methylphenyl)methylideneamino]butanediamide
CID 3285949
4-[[[3-oxo-3-(2-phenylethylamino)propanoyl]hydrazinylidene]methyl]benzoic acid
CID 2254790
N'-[(3-methylphenyl)methylideneamino]-N-prop-2-enylpropanediamide
CID 15945666
N'-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-(2-phenylethyl)propanediamide
CID 3131651
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273
2-(4-benzylpiperazin-1-yl)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 3714192
N'-[(Z)-(2-nitrophenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
CID 6062602
N'-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide
CID 6018671
N-[(E)-(3-methoxyphenyl)methylideneamino]-3-phenylpropanamide
CID 5334959
2-[(3-chlorophenyl)methylsulfanyl]-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 95989152
N'-(ethenylideneamino)-N-[(E)-(3-methylphenyl)methylideneamino]hexanediamide
CID 176543341

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methylphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide?
The IUPAC name of N'-[(3-methylphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide (CID 23723111) is N'-[(3-methylphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide.
What is the SMILES notation for N'-[(3-methylphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide?
The canonical SMILES for N'-[(3-methylphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide is Cc1cccc(C=NNC(=O)CC(=O)NCCc2ccccc2)c1.
What is the InChIKey of N'-[(3-methylphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide?
The InChIKey is UTJGANZTCGNAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-15-6-5-9-17(12-15)14-21-22-19(24)13-18(23)20-11-10-16-7-3-2-4-8-16/h2-9,12,14H,10-11,13H2,1H3,(H,20,23)(H,22,24).
What are the key properties of N'-[(3-methylphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide?
N'-[(3-methylphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide has a molecular weight of 323.40 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methylphenyl)methylideneamino]-N-(2-phenylethyl)propanediamide is sourced from PubChem (CID 23723111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).