N-[(Z)-1-(furan-2-yl)-3-[3-[methyl(propan-2-yl)amino]anilino]-3-oxoprop-1-en-2-yl]benzamide

C24H25N3O3 — CID 86942665

IUPACN-[(Z)-1-(furan-2-yl)-3-[3-[methyl(propan-2-yl)amino]anilino]-3-oxoprop-1-en-2-yl]benzamide
SMILESCC(C)N(C)c1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H25N3O3/c1-17(2)27(3)20-12-7-11-19(15-20)25-24(29)22(16-21-13-8-14-30-21)26-23(28)18-9-5-4-6-10-18/h4-17H,1-3H3,(H,25,29)(H,26,28)/b22-16-
InChIKeyCWVVRDBKMUCZHD-JWGURIENSA-N
MW403.48 g/mol
LogP4.53
Rot. Bonds7

About N-[(Z)-1-(furan-2-yl)-3-[3-[methyl(propan-2-yl)amino]anilino]-3-oxoprop-1-en-2-yl]benzamide

N-[(Z)-1-(furan-2-yl)-3-[3-[methyl(propan-2-yl)amino]anilino]-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 86942665) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)-3-[3-[methyl(propan-2-yl)amino]anilino]-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)-3-[3-[methyl(propan-2-yl)amino]anilino]-3-oxoprop-1-en-2-yl]benzamide
PubChem CID86942665
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[(Z)-1-(furan-2-yl)-3-[3-[methyl(propan-2-yl)amino]anilino]-3-oxoprop-1-en-2-yl]benzamide
SMILESCC(C)N(C)c1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1
InChIInChI=1S/C24H25N3O3/c1-17(2)27(3)20-12-7-11-19(15-20)25-24(29)22(16-21-13-8-14-30-21)26-23(28)18-9-5-4-6-10-18/h4-17H,1-3H3,(H,25,29)(H,26,28)/b22-16-
InChIKeyCWVVRDBKMUCZHD-JWGURIENSA-N
XLogP4.53
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(furan-2-yl)-3-[3-[methyl(propan-2-yl)amino]anilino]-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)-3-[3-[methyl(propan-2-yl)amino]anilino]-3-oxoprop-1-en-2-yl]benzamide (CID 86942665) is N-[(Z)-1-(furan-2-yl)-3-[3-[methyl(propan-2-yl)amino]anilino]-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)-3-[3-[methyl(propan-2-yl)amino]anilino]-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)-3-[3-[methyl(propan-2-yl)amino]anilino]-3-oxoprop-1-en-2-yl]benzamide is CC(C)N(C)c1cccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)-3-[3-[methyl(propan-2-yl)amino]anilino]-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is CWVVRDBKMUCZHD-JWGURIENSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-17(2)27(3)20-12-7-11-19(15-20)25-24(29)22(16-21-13-8-14-30-21)26-23(28)18-9-5-4-6-10-18/h4-17H,1-3H3,(H,25,29)(H,26,28)/b22-16-.
What are the key properties of N-[(Z)-1-(furan-2-yl)-3-[3-[methyl(propan-2-yl)amino]anilino]-3-oxoprop-1-en-2-yl]benzamide?
N-[(Z)-1-(furan-2-yl)-3-[3-[methyl(propan-2-yl)amino]anilino]-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 403.48 g/mol, XLogP of 4.53, 7 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-[methyl(propan-2-yl)amino]anilino]-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 86942665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).