N-[(E)-1-anthracen-9-yl-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide

C25H20N2O2 — CID 20831549

IUPACN-[(E)-1-anthracen-9-yl-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
SMILESCNC(=O)/C(=C\c1c2ccccc2cc2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C25H20N2O2/c1-26-25(29)23(27-24(28)17-9-3-2-4-10-17)16-22-20-13-7-5-11-18(20)15-19-12-6-8-14-21(19)22/h2-16H,1H3,(H,26,29)(H,27,28)/b23-16+
InChIKeyXHTOAANDXIDMQW-XQNSMLJCSA-N
MW380.45 g/mol
LogP4.51
Rot. Bonds4

About N-[(E)-1-anthracen-9-yl-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide

N-[(E)-1-anthracen-9-yl-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 20831549) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[(E)-1-anthracen-9-yl-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-1-anthracen-9-yl-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID20831549
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC NameN-[(E)-1-anthracen-9-yl-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
SMILESCNC(=O)/C(=C\c1c2ccccc2cc2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C25H20N2O2/c1-26-25(29)23(27-24(28)17-9-3-2-4-10-17)16-22-20-13-7-5-11-18(20)15-19-12-6-8-14-21(19)22/h2-16H,1H3,(H,26,29)(H,27,28)/b23-16+
InChIKeyXHTOAANDXIDMQW-XQNSMLJCSA-N
XLogP4.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-anthracen-9-yl-3-(diethylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 6184528
N-[1-anthracen-9-yl-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2858390
N-[(E)-3-[2-(anthracen-9-ylmethylidene)hydrazinyl]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 129439037
N-[(E)-3-(methylamino)-3-oxo-1-(4-propan-2-ylphenyl)prop-1-en-2-yl]benzamide
CID 1284675
methyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate
CID 10315660
N-[(Z)-1-(2-chloro-7-methylquinolin-3-yl)-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 7640686
2-benzamido-3-naphthalen-1-ylprop-2-enoic acid
CID 1099149
N-methylbenzamide
CID 11954
(E)-2-benzamido-3-(2,4,6-trimethylpyrimidin-5-yl)prop-2-enoic acid
CID 134999815
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-methyloxamide
CID 7718958
N-[(Z)-3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 92910310
N-[3-(3-hydroxyanilino)-1-naphthalen-1-yl-3-oxoprop-1-en-2-yl]benzamide
CID 2836680

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-anthracen-9-yl-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-1-anthracen-9-yl-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide (CID 20831549) is N-[(E)-1-anthracen-9-yl-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-1-anthracen-9-yl-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-1-anthracen-9-yl-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide is CNC(=O)/C(=C\c1c2ccccc2cc2ccccc12)NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-1-anthracen-9-yl-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is XHTOAANDXIDMQW-XQNSMLJCSA-N. The full InChI is InChI=1S/C25H20N2O2/c1-26-25(29)23(27-24(28)17-9-3-2-4-10-17)16-22-20-13-7-5-11-18(20)15-19-12-6-8-14-21(19)22/h2-16H,1H3,(H,26,29)(H,27,28)/b23-16+.
What are the key properties of N-[(E)-1-anthracen-9-yl-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide?
N-[(E)-1-anthracen-9-yl-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 380.45 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-anthracen-9-yl-3-(methylamino)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 20831549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).