4-butoxy-N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide

C26H30N2O4 — CID 2907636

IUPAC4-butoxy-N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide
SMILESCCCCOc1ccc(C(=O)NC(=CC=Cc2ccccc2)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H30N2O4/c1-2-3-18-32-23-14-12-22(13-15-23)25(29)27-24(26(30)28-16-19-31-20-17-28)11-7-10-21-8-5-4-6-9-21/h4-15H,2-3,16-20H2,1H3,(H,27,29)
InChIKeySGGDMARYMXSLNE-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.05
Rot. Bonds9

About 4-butoxy-N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide

4-butoxy-N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide (PubChem CID 2907636) has the molecular formula C26H30N2O4 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-butoxy-N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide
PubChem CID2907636
Molecular FormulaC26H30N2O4
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name4-butoxy-N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide
SMILESCCCCOc1ccc(C(=O)NC(=CC=Cc2ccccc2)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H30N2O4/c1-2-3-18-32-23-14-12-22(13-15-23)25(29)27-24(26(30)28-16-19-31-20-17-28)11-7-10-21-8-5-4-6-9-21/h4-15H,2-3,16-20H2,1H3,(H,27,29)
InChIKeySGGDMARYMXSLNE-UHFFFAOYSA-N
XLogP4.05
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.05
H-Bond Donors ≤ 51
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide
CID 3118289
4-butoxy-N-[(2E,4E)-1-(methylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 2255059
4-butoxy-N-[(2E,4E)-1-(ethylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 2245743
4-butoxy-N-[(2Z,4E)-1-(3-hydroxypropylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide
CID 6374728
4-heptoxy-N-(morpholine-4-carbothioyl)benzamide
CID 4950894
N-[1-(4-chlorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide
CID 1337441
1-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazin-1-yl]-4-(4-pentoxyphenyl)butane-1,4-dione
CID 55470812
2-[[2-[(4-butoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetic acid
CID 2909548
4-butoxy-N-[(E)-3-(4-methylanilino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
CID 2257783
4-pentoxy-N-(4-phenylpiperazine-1-carbothioyl)benzamide
CID 17175938
N-[1-(4-chlorophenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 1324039
4-[(3E)-4-(4-butoxyphenyl)buta-1,3-dien-2-yl]morpholine
CID 138514968

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide?
The IUPAC name of 4-butoxy-N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide (CID 2907636) is 4-butoxy-N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide.
What is the SMILES notation for 4-butoxy-N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide?
The canonical SMILES for 4-butoxy-N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide is CCCCOc1ccc(C(=O)NC(=CC=Cc2ccccc2)C(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-butoxy-N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide?
The InChIKey is SGGDMARYMXSLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4/c1-2-3-18-32-23-14-12-22(13-15-23)25(29)27-24(26(30)28-16-19-31-20-17-28)11-7-10-21-8-5-4-6-9-21/h4-15H,2-3,16-20H2,1H3,(H,27,29).
What are the key properties of 4-butoxy-N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide?
4-butoxy-N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide has a molecular weight of 434.54 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(1-morpholin-4-yl-1-oxo-5-phenylpenta-2,4-dien-2-yl)benzamide is sourced from PubChem (CID 2907636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).