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

C28H26N2O2 — CID 6184528

IUPACN-[(E)-1-anthracen-9-yl-3-(diethylamino)-3-oxoprop-1-en-2-yl]benzamide
SMILESCCN(CC)C(=O)/C(=C\c1c2ccccc2cc2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C28H26N2O2/c1-3-30(4-2)28(32)26(29-27(31)20-12-6-5-7-13-20)19-25-23-16-10-8-14-21(23)18-22-15-9-11-17-24(22)25/h5-19H,3-4H2,1-2H3,(H,29,31)/b26-19+
InChIKeyYUOWZAGKCWODJH-LGUFXXKBSA-N
MW422.53 g/mol
LogP5.63
Rot. Bonds6

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

N-[(E)-1-anthracen-9-yl-3-(diethylamino)-3-oxoprop-1-en-2-yl]benzamide (PubChem CID 6184528) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[(E)-1-anthracen-9-yl-3-(diethylamino)-3-oxoprop-1-en-2-yl]benzamide.

Molecular Properties

Compound NameN-[(E)-1-anthracen-9-yl-3-(diethylamino)-3-oxoprop-1-en-2-yl]benzamide
PubChem CID6184528
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC NameN-[(E)-1-anthracen-9-yl-3-(diethylamino)-3-oxoprop-1-en-2-yl]benzamide
SMILESCCN(CC)C(=O)/C(=C\c1c2ccccc2cc2ccccc12)NC(=O)c1ccccc1
InChIInChI=1S/C28H26N2O2/c1-3-30(4-2)28(32)26(29-27(31)20-12-6-5-7-13-20)19-25-23-16-10-8-14-21(23)18-22-15-9-11-17-24(22)25/h5-19H,3-4H2,1-2H3,(H,29,31)/b26-19+
InChIKeyYUOWZAGKCWODJH-LGUFXXKBSA-N
XLogP5.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.63
H-Bond Donors ≤ 51
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-(methylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 20831549
N-[3-(diethylamino)-1-(4-ethoxynaphthalen-1-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 3101414
N-[3-(diethylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]benzamide
CID 3120736
N-[1-anthracen-9-yl-3-(4-methylanilino)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 2858390
methyl (E)-2-benzamido-3-(2-hydroxynaphthalen-1-yl)prop-2-enoate
CID 10315660
2-benzamido-3-naphthalen-1-ylprop-2-enoic acid
CID 1099149
N,N-diethylphenanthrene-2-carboxamide
CID 15466572
4-chloro-N-[3-(diethylamino)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 3708482
N-[(E)-3-[2-(anthracen-9-ylmethylidene)hydrazinyl]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 129439037
(E)-2-benzamido-3-(2,4,6-trimethylpyrimidin-5-yl)prop-2-enoic acid
CID 134999815
N-[(E)-3-(diethylamino)-1-(1-methylindol-3-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 2005573
(E)-2-benzamido-3-(2,4-dimethoxy-6-methylphenyl)prop-2-enoic acid
CID 45049758

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-anthracen-9-yl-3-(diethylamino)-3-oxoprop-1-en-2-yl]benzamide?
The IUPAC name of N-[(E)-1-anthracen-9-yl-3-(diethylamino)-3-oxoprop-1-en-2-yl]benzamide (CID 6184528) is N-[(E)-1-anthracen-9-yl-3-(diethylamino)-3-oxoprop-1-en-2-yl]benzamide.
What is the SMILES notation for N-[(E)-1-anthracen-9-yl-3-(diethylamino)-3-oxoprop-1-en-2-yl]benzamide?
The canonical SMILES for N-[(E)-1-anthracen-9-yl-3-(diethylamino)-3-oxoprop-1-en-2-yl]benzamide is CCN(CC)C(=O)/C(=C\c1c2ccccc2cc2ccccc12)NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-1-anthracen-9-yl-3-(diethylamino)-3-oxoprop-1-en-2-yl]benzamide?
The InChIKey is YUOWZAGKCWODJH-LGUFXXKBSA-N. The full InChI is InChI=1S/C28H26N2O2/c1-3-30(4-2)28(32)26(29-27(31)20-12-6-5-7-13-20)19-25-23-16-10-8-14-21(23)18-22-15-9-11-17-24(22)25/h5-19H,3-4H2,1-2H3,(H,29,31)/b26-19+.
What are the key properties of N-[(E)-1-anthracen-9-yl-3-(diethylamino)-3-oxoprop-1-en-2-yl]benzamide?
N-[(E)-1-anthracen-9-yl-3-(diethylamino)-3-oxoprop-1-en-2-yl]benzamide has a molecular weight of 422.53 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-anthracen-9-yl-3-(diethylamino)-3-oxoprop-1-en-2-yl]benzamide is sourced from PubChem (CID 6184528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).