N-[(Z)-1-(furan-2-yl)-3-[[(2S)-4-methyl-4-phenylpentan-2-yl]amino]-3-oxoprop-1-en-2-yl]benzamide

C26H28N2O3 — CID 100564310

IUPACN-[(Z)-1-(furan-2-yl)-3-[[(2S)-4-methyl-4-phenylpentan-2-yl]amino]-3-oxoprop-1-en-2-yl]benzamide
SMILESC[C@@H](CC(C)(C)c1ccccc1)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C26H28N2O3/c1-19(18-26(2,3)21-13-8-5-9-14-21)27-25(30)23(17-22-15-10-16-31-22)28-24(29)20-11-6-4-7-12-20/h4-17,19H,18H2,1-3H3,(H,27,30)(H,28,29)/b23-17-/t19-/m0/s1
InChIKeyJNYJPXUMRODCQP-IBZADVPGSA-N
MW416.52 g/mol
LogP4.92
Rot. Bonds8

About N-[(Z)-1-(furan-2-yl)-3-[[(2S)-4-methyl-4-phenylpentan-2-yl]amino]-3-oxoprop-1-en-2-yl]benzamide

N-[(Z)-1-(furan-2-yl)-3-[[(2S)-4-methyl-4-phenylpentan-2-yl]amino]-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 100564310) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)-3-[[(2S)-4-methyl-4-phenylpentan-2-yl]amino]-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)-3-[[(2S)-4-methyl-4-phenylpentan-2-yl]amino]-3-oxoprop-1-en-2-yl]benzamide
PubChem CID100564310
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-[(Z)-1-(furan-2-yl)-3-[[(2S)-4-methyl-4-phenylpentan-2-yl]amino]-3-oxoprop-1-en-2-yl]benzamide
SMILESC[C@@H](CC(C)(C)c1ccccc1)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1
InChIInChI=1S/C26H28N2O3/c1-19(18-26(2,3)21-13-8-5-9-14-21)27-25(30)23(17-22-15-10-16-31-22)28-24(29)20-11-6-4-7-12-20/h4-17,19H,18H2,1-3H3,(H,27,30)(H,28,29)/b23-17-/t19-/m0/s1
InChIKeyJNYJPXUMRODCQP-IBZADVPGSA-N
XLogP4.92
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-(furan-2-yl)-3-oxo-3-(pentan-2-ylamino)prop-1-en-2-yl]benzamide
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N-[(Z)-1-(furan-2-yl)-3-oxo-3-(1-phenoxypropan-2-ylamino)prop-1-en-2-yl]benzamide
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N-[(Z)-3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
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N-[(Z)-1-(furan-2-yl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide
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N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2-phenylpropylamino)prop-1-en-2-yl]benzamide
CID 133218762
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N-[(Z)-1-(furan-2-yl)-3-(4-methylpentylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 86942346
4-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-N-propan-2-ylbenzamide
CID 103599554
N-[3-[[3-[[2-benzamido-3-(furan-2-yl)prop-2-enoyl]amino]-2-hydroxypropyl]amino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 3821366
N-[3-[1-(1H-benzimidazol-2-yl)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 103599659
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CID 3092968

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(furan-2-yl)-3-[[(2S)-4-methyl-4-phenylpentan-2-yl]amino]-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)-3-[[(2S)-4-methyl-4-phenylpentan-2-yl]amino]-3-oxoprop-1-en-2-yl]benzamide (CID 100564310) is N-[(Z)-1-(furan-2-yl)-3-[[(2S)-4-methyl-4-phenylpentan-2-yl]amino]-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)-3-[[(2S)-4-methyl-4-phenylpentan-2-yl]amino]-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)-3-[[(2S)-4-methyl-4-phenylpentan-2-yl]amino]-3-oxoprop-1-en-2-yl]benzamide is C[C@@H](CC(C)(C)c1ccccc1)NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)-3-[[(2S)-4-methyl-4-phenylpentan-2-yl]amino]-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is JNYJPXUMRODCQP-IBZADVPGSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-19(18-26(2,3)21-13-8-5-9-14-21)27-25(30)23(17-22-15-10-16-31-22)28-24(29)20-11-6-4-7-12-20/h4-17,19H,18H2,1-3H3,(H,27,30)(H,28,29)/b23-17-/t19-/m0/s1.
What are the key properties of N-[(Z)-1-(furan-2-yl)-3-[[(2S)-4-methyl-4-phenylpentan-2-yl]amino]-3-oxoprop-1-en-2-yl]benzamide?
N-[(Z)-1-(furan-2-yl)-3-[[(2S)-4-methyl-4-phenylpentan-2-yl]amino]-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 416.52 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(furan-2-yl)-3-[[(2S)-4-methyl-4-phenylpentan-2-yl]amino]-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 100564310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).