N-(furan-2-ylmethylideneamino)-3-(7-methyl-2,3-diphenylindol-1-yl)propanamide

C29H25N3O2 — CID 71952810

IUPACN-(furan-2-ylmethylideneamino)-3-(7-methyl-2,3-diphenylindol-1-yl)propanamide
SMILESCc1cccc2c(-c3ccccc3)c(-c3ccccc3)n(CCC(=O)NN=Cc3ccco3)c12
InChIInChI=1S/C29H25N3O2/c1-21-10-8-16-25-27(22-11-4-2-5-12-22)29(23-13-6-3-7-14-23)32(28(21)25)18-17-26(33)31-30-20-24-15-9-19-34-24/h2-16,19-20H,17-18H2,1H3,(H,31,33)
InChIKeyXSTSZOCCBAJRGR-UHFFFAOYSA-N
MW447.54 g/mol
LogP6.42
Rot. Bonds7

About N-(furan-2-ylmethylideneamino)-3-(7-methyl-2,3-diphenylindol-1-yl)propanamide

N-(furan-2-ylmethylideneamino)-3-(7-methyl-2,3-diphenylindol-1-yl)propanamide (PubChem CID 71952810) has the molecular formula C29H25N3O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(furan-2-ylmethylideneamino)-3-(7-methyl-2,3-diphenylindol-1-yl)propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethylideneamino)-3-(7-methyl-2,3-diphenylindol-1-yl)propanamide
PubChem CID71952810
Molecular FormulaC29H25N3O2
Molecular Weight447.54 g/mol
Exact Mass447.19
IUPAC NameN-(furan-2-ylmethylideneamino)-3-(7-methyl-2,3-diphenylindol-1-yl)propanamide
SMILESCc1cccc2c(-c3ccccc3)c(-c3ccccc3)n(CCC(=O)NN=Cc3ccco3)c12
InChIInChI=1S/C29H25N3O2/c1-21-10-8-16-25-27(22-11-4-2-5-12-22)29(23-13-6-3-7-14-23)32(28(21)25)18-17-26(33)31-30-20-24-15-9-19-34-24/h2-16,19-20H,17-18H2,1H3,(H,31,33)
InChIKeyXSTSZOCCBAJRGR-UHFFFAOYSA-N
XLogP6.42
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
CID 4164018
N,N'-bis(furan-2-ylmethylideneamino)decanediamide
CID 5226719
3-(4-benzhydrylpiperazin-1-yl)-N-(furan-2-ylmethylideneamino)propanamide
CID 3393441
N-[(4-bromophenyl)methylideneamino]-3-(2,3-diphenylindol-1-yl)propanamide
CID 3111135
3-(2,3-diphenylindol-1-yl)-N-[(E)-(4-methoxyphenyl)methylideneamino]propanamide
CID 45023018
2-anilino-N-(furan-2-ylmethylideneamino)acetamide
CID 3757182
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
N'-[(Z)-furan-2-ylmethylideneamino]-N-(4-methylphenyl)butanediamide
CID 6053974
3-(2,3-diphenylindol-1-yl)-N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]propanamide
CID 135613957
N-(2,5-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
CID 3289300
3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(Z)-furan-2-ylmethylideneamino]propanamide
CID 9213261
N-[(E)-furan-2-ylmethylideneamino]-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 6878975

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethylideneamino)-3-(7-methyl-2,3-diphenylindol-1-yl)propanamide?
The IUPAC name of N-(furan-2-ylmethylideneamino)-3-(7-methyl-2,3-diphenylindol-1-yl)propanamide (CID 71952810) is N-(furan-2-ylmethylideneamino)-3-(7-methyl-2,3-diphenylindol-1-yl)propanamide.
What is the SMILES notation for N-(furan-2-ylmethylideneamino)-3-(7-methyl-2,3-diphenylindol-1-yl)propanamide?
The canonical SMILES for N-(furan-2-ylmethylideneamino)-3-(7-methyl-2,3-diphenylindol-1-yl)propanamide is Cc1cccc2c(-c3ccccc3)c(-c3ccccc3)n(CCC(=O)NN=Cc3ccco3)c12.
What is the InChIKey of N-(furan-2-ylmethylideneamino)-3-(7-methyl-2,3-diphenylindol-1-yl)propanamide?
The InChIKey is XSTSZOCCBAJRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O2/c1-21-10-8-16-25-27(22-11-4-2-5-12-22)29(23-13-6-3-7-14-23)32(28(21)25)18-17-26(33)31-30-20-24-15-9-19-34-24/h2-16,19-20H,17-18H2,1H3,(H,31,33).
What are the key properties of N-(furan-2-ylmethylideneamino)-3-(7-methyl-2,3-diphenylindol-1-yl)propanamide?
N-(furan-2-ylmethylideneamino)-3-(7-methyl-2,3-diphenylindol-1-yl)propanamide has a molecular weight of 447.54 g/mol, XLogP of 6.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethylideneamino)-3-(7-methyl-2,3-diphenylindol-1-yl)propanamide is sourced from PubChem (CID 71952810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).