N-(1,5-diphenylpenta-1,4-dien-3-ylideneamino)-3-(1H-indol-3-yl)propanamide

C28H25N3O — CID 2862401

IUPACN-(1,5-diphenylpenta-1,4-dien-3-ylideneamino)-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NN=C(C=Cc1ccccc1)C=Cc1ccccc1
InChIInChI=1S/C28H25N3O/c32-28(20-17-24-21-29-27-14-8-7-13-26(24)27)31-30-25(18-15-22-9-3-1-4-10-22)19-16-23-11-5-2-6-12-23/h1-16,18-19,21,29H,17,20H2,(H,31,32)
InChIKeyYHCZCRIFTRARHP-UHFFFAOYSA-N
MW419.53 g/mol
LogP6.00
Rot. Bonds8

About N-(1,5-diphenylpenta-1,4-dien-3-ylideneamino)-3-(1H-indol-3-yl)propanamide

N-(1,5-diphenylpenta-1,4-dien-3-ylideneamino)-3-(1H-indol-3-yl)propanamide (PubChem CID 2862401) has the molecular formula C28H25N3O and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(1,5-diphenylpenta-1,4-dien-3-ylideneamino)-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound NameN-(1,5-diphenylpenta-1,4-dien-3-ylideneamino)-3-(1H-indol-3-yl)propanamide
PubChem CID2862401
Molecular FormulaC28H25N3O
Molecular Weight419.53 g/mol
Exact Mass419.20
IUPAC NameN-(1,5-diphenylpenta-1,4-dien-3-ylideneamino)-3-(1H-indol-3-yl)propanamide
SMILESO=C(CCc1c[nH]c2ccccc12)NN=C(C=Cc1ccccc1)C=Cc1ccccc1
InChIInChI=1S/C28H25N3O/c32-28(20-17-24-21-29-27-14-8-7-13-26(24)27)31-30-25(18-15-22-9-3-1-4-10-22)19-16-23-11-5-2-6-12-23/h1-16,18-19,21,29H,17,20H2,(H,31,32)
InChIKeyYHCZCRIFTRARHP-UHFFFAOYSA-N
XLogP6.00
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-hydroxy-3-(1H-indol-3-yl)propanamide
CID 23938574
N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-3-(1H-indol-3-yl)propanamide
CID 20579503
N-[(4-fluorophenyl)methylideneamino]-3-(1H-indol-3-yl)propanamide
CID 74816610
3-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 10664257
4-(1H-indol-3-yl)-N-[2-[3-(1H-indol-3-yl)propanoylamino]ethyl]butanamide
CID 42506947
N-[(Z)-furan-2-ylmethylideneamino]-3-(1H-indol-3-yl)propanamide
CID 6049004
N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2086054
N-[2-(1H-indol-3-yl)ethyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51164019
2-[3-(1H-indol-3-yl)propanoylamino]acetate
CID 7677841
1-[3-(1H-indol-3-yl)propanoylamino]cyclopropane-1-carboxylic acid
CID 65450806
3-(1H-indol-3-yl)-N-(1-phenylethyl)propanamide
CID 582677
(E)-3-(4-hydroxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]prop-2-enamide
CID 5458878

Frequently Asked Questions

What is the IUPAC name of N-(1,5-diphenylpenta-1,4-dien-3-ylideneamino)-3-(1H-indol-3-yl)propanamide?
The IUPAC name of N-(1,5-diphenylpenta-1,4-dien-3-ylideneamino)-3-(1H-indol-3-yl)propanamide (CID 2862401) is N-(1,5-diphenylpenta-1,4-dien-3-ylideneamino)-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for N-(1,5-diphenylpenta-1,4-dien-3-ylideneamino)-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for N-(1,5-diphenylpenta-1,4-dien-3-ylideneamino)-3-(1H-indol-3-yl)propanamide is O=C(CCc1c[nH]c2ccccc12)NN=C(C=Cc1ccccc1)C=Cc1ccccc1.
What is the InChIKey of N-(1,5-diphenylpenta-1,4-dien-3-ylideneamino)-3-(1H-indol-3-yl)propanamide?
The InChIKey is YHCZCRIFTRARHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O/c32-28(20-17-24-21-29-27-14-8-7-13-26(24)27)31-30-25(18-15-22-9-3-1-4-10-22)19-16-23-11-5-2-6-12-23/h1-16,18-19,21,29H,17,20H2,(H,31,32).
What are the key properties of N-(1,5-diphenylpenta-1,4-dien-3-ylideneamino)-3-(1H-indol-3-yl)propanamide?
N-(1,5-diphenylpenta-1,4-dien-3-ylideneamino)-3-(1H-indol-3-yl)propanamide has a molecular weight of 419.53 g/mol, XLogP of 6.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-diphenylpenta-1,4-dien-3-ylideneamino)-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 2862401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).