N'-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-phenylpropanediamide

C20H23N3O3 — CID 3371497

IUPACN'-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-phenylpropanediamide
SMILESCC(C)COc1ccc(C=NNC(=O)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H23N3O3/c1-15(2)14-26-18-10-8-16(9-11-18)13-21-23-20(25)12-19(24)22-17-6-4-3-5-7-17/h3-11,13,15H,12,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyBGZXWOQTXJHNPF-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.20
Rot. Bonds8

About N'-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-phenylpropanediamide

N'-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-phenylpropanediamide (PubChem CID 3371497) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N'-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-phenylpropanediamide.

Molecular Properties

Compound NameN'-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-phenylpropanediamide
PubChem CID3371497
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN'-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-phenylpropanediamide
SMILESCC(C)COc1ccc(C=NNC(=O)CC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H23N3O3/c1-15(2)14-26-18-10-8-16(9-11-18)13-21-23-20(25)12-19(24)22-17-6-4-3-5-7-17/h3-11,13,15H,12,14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyBGZXWOQTXJHNPF-UHFFFAOYSA-N
XLogP3.20
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze N'-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-phenylpropanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-N'-[(4-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 3990065
N-(4-methylphenyl)-N'-[[4-(2-methylpropoxy)phenyl]methylideneamino]butanediamide
CID 5189380
N'-(benzylideneamino)-N-(4-methoxyphenyl)propanediamide
CID 5156637
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2-methylpropanamide
CID 94833201
2-[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5429334
2-(4-chlorophenoxy)-N-[(Z)-[4-(2-methylpropoxy)phenyl]methylideneamino]acetamide
CID 126191967
1-(2-methylphenyl)-3-[[4-(2-methylpropoxy)phenyl]methylideneamino]urea
CID 926788
N'-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-N-phenylpropanediamide
CID 4233936
N'-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3315682
N-(4-methoxyphenyl)-N'-[(4-prop-2-ynoxyphenyl)methylideneamino]propanediamide
CID 3979291
N-[(E)-[4-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-2,2-diphenylacetamide
CID 94833111
N-(4-methylphenyl)-N'-[(4-prop-2-ynoxyphenyl)methylideneamino]propanediamide
CID 3932506

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-phenylpropanediamide?
The IUPAC name of N'-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-phenylpropanediamide (CID 3371497) is N'-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-phenylpropanediamide.
What is the SMILES notation for N'-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-phenylpropanediamide?
The canonical SMILES for N'-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-phenylpropanediamide is CC(C)COc1ccc(C=NNC(=O)CC(=O)Nc2ccccc2)cc1.
What is the InChIKey of N'-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-phenylpropanediamide?
The InChIKey is BGZXWOQTXJHNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15(2)14-26-18-10-8-16(9-11-18)13-21-23-20(25)12-19(24)22-17-6-4-3-5-7-17/h3-11,13,15H,12,14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-phenylpropanediamide?
N'-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-phenylpropanediamide has a molecular weight of 353.42 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(2-methylpropoxy)phenyl]methylideneamino]-N-phenylpropanediamide is sourced from PubChem (CID 3371497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).