1,5-bis(N-methylanilino)penta-1,4-dien-3-one

C19H20N2O — CID 3775115

IUPAC1,5-bis(N-methylanilino)penta-1,4-dien-3-one
SMILESCN(C=CC(=O)C=CN(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O/c1-20(17-9-5-3-6-10-17)15-13-19(22)14-16-21(2)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKeyNUVAMSHMRMOLFM-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.86
Rot. Bonds6

About 1,5-bis(N-methylanilino)penta-1,4-dien-3-one

1,5-bis(N-methylanilino)penta-1,4-dien-3-one (PubChem CID 3775115) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 1,5-bis(N-methylanilino)penta-1,4-dien-3-one.

Molecular Properties

Compound Name1,5-bis(N-methylanilino)penta-1,4-dien-3-one
PubChem CID3775115
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name1,5-bis(N-methylanilino)penta-1,4-dien-3-one
SMILESCN(C=CC(=O)C=CN(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H20N2O/c1-20(17-9-5-3-6-10-17)15-13-19(22)14-16-21(2)18-11-7-4-8-12-18/h3-16H,1-2H3
InChIKeyNUVAMSHMRMOLFM-UHFFFAOYSA-N
XLogP3.86
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-(N-methylanilino)prop-2-enoate
CID 174882513
3-(N-methylanilino)-1-phenylprop-2-ene-1-thione
CID 131878867
N-but-1-enyl-N-methylaniline
CID 54394992
2-methyl-3-(N-methylanilino)prop-2-enal
CID 174849182
(E)-but-2-enedioic acid;N,N-diphenylaniline
CID 139301590
formic acid;methyl(phenyl)carbamic acid
CID 161284118
4-[methyl(2-phenylethenyl)amino]phenol
CID 174417234
2-(N-methylanilino)prop-2-enal
CID 88506227
1-ethyl-1-methyl-3,3-diphenylurea
CID 67018920
3-[4-(N-methylanilino)phenyl]prop-2-enoic acid
CID 74580701
4-(N-methylanilino)-3-oxobutanal
CID 134923271
(E)-N,2-dimethyl-N-phenylbut-2-enamide
CID 10867125

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(N-methylanilino)penta-1,4-dien-3-one?
The IUPAC name of 1,5-bis(N-methylanilino)penta-1,4-dien-3-one (CID 3775115) is 1,5-bis(N-methylanilino)penta-1,4-dien-3-one.
What is the SMILES notation for 1,5-bis(N-methylanilino)penta-1,4-dien-3-one?
The canonical SMILES for 1,5-bis(N-methylanilino)penta-1,4-dien-3-one is CN(C=CC(=O)C=CN(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,5-bis(N-methylanilino)penta-1,4-dien-3-one?
The InChIKey is NUVAMSHMRMOLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-20(17-9-5-3-6-10-17)15-13-19(22)14-16-21(2)18-11-7-4-8-12-18/h3-16H,1-2H3.
What are the key properties of 1,5-bis(N-methylanilino)penta-1,4-dien-3-one?
1,5-bis(N-methylanilino)penta-1,4-dien-3-one has a molecular weight of 292.38 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(N-methylanilino)penta-1,4-dien-3-one is sourced from PubChem (CID 3775115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).