N-[(Z)-1-(furan-2-yl)-3-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxoprop-1-en-2-yl]benzamide

C26H27N3O3 — CID 100566249

IUPACN-[(Z)-1-(furan-2-yl)-3-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxoprop-1-en-2-yl]benzamide
SMILESC[C@@H]1Cc2ccccc2N1CCCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C26H27N3O3/c1-19-17-21-11-5-6-13-24(21)29(19)15-8-14-27-26(31)23(18-22-12-7-16-32-22)28-25(30)20-9-3-2-4-10-20/h2-7,9-13,16,18-19H,8,14-15,17H2,1H3,(H,27,31)(H,28,30)/b23-18-/t19-/m1/s1
InChIKeyIPMBITXWVLJWIF-UPHPNCSHSA-N
MW429.52 g/mol
LogP4.01
Rot. Bonds8

About N-[(Z)-1-(furan-2-yl)-3-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxoprop-1-en-2-yl]benzamide

N-[(Z)-1-(furan-2-yl)-3-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 100566249) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)-3-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)-3-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxoprop-1-en-2-yl]benzamide
PubChem CID100566249
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-[(Z)-1-(furan-2-yl)-3-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxoprop-1-en-2-yl]benzamide
SMILESC[C@@H]1Cc2ccccc2N1CCCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C26H27N3O3/c1-19-17-21-11-5-6-13-24(21)29(19)15-8-14-27-26(31)23(18-22-12-7-16-32-22)28-25(30)20-9-3-2-4-10-20/h2-7,9-13,16,18-19H,8,14-15,17H2,1H3,(H,27,31)(H,28,30)/b23-18-/t19-/m1/s1
InChIKeyIPMBITXWVLJWIF-UPHPNCSHSA-N
XLogP4.01
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 3821366

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(furan-2-yl)-3-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)-3-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxoprop-1-en-2-yl]benzamide (CID 100566249) is N-[(Z)-1-(furan-2-yl)-3-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)-3-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)-3-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxoprop-1-en-2-yl]benzamide is C[C@@H]1Cc2ccccc2N1CCCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)-3-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is IPMBITXWVLJWIF-UPHPNCSHSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-19-17-21-11-5-6-13-24(21)29(19)15-8-14-27-26(31)23(18-22-12-7-16-32-22)28-25(30)20-9-3-2-4-10-20/h2-7,9-13,16,18-19H,8,14-15,17H2,1H3,(H,27,31)(H,28,30)/b23-18-/t19-/m1/s1.
What are the key properties of N-[(Z)-1-(furan-2-yl)-3-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxoprop-1-en-2-yl]benzamide?
N-[(Z)-1-(furan-2-yl)-3-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 4.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(furan-2-yl)-3-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 100566249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).