(E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one

C18H28N2O2 — CID 6250620

IUPAC(E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
SMILESCOc1ccc(/C=C/C(=O)C(C)(CN(C)C)CN(C)C)cc1
InChIInChI=1S/C18H28N2O2/c1-18(13-19(2)3,14-20(4)5)17(21)12-9-15-7-10-16(22-6)11-8-15/h7-12H,13-14H2,1-6H3/b12-9+
InChIKeyFEALWMXWIXJUGQ-FMIVXFBMSA-N
MW304.43 g/mol
LogP2.41
Rot. Bonds8

About (E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one

(E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one (PubChem CID 6250620) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is (E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one.

Molecular Properties

Compound Name(E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
PubChem CID6250620
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one
SMILESCOc1ccc(/C=C/C(=O)C(C)(CN(C)C)CN(C)C)cc1
InChIInChI=1S/C18H28N2O2/c1-18(13-19(2)3,14-20(4)5)17(21)12-9-15-7-10-16(22-6)11-8-15/h7-12H,13-14H2,1-6H3/b12-9+
InChIKeyFEALWMXWIXJUGQ-FMIVXFBMSA-N
XLogP2.41
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-methoxyphenyl)-4,4-dimethylhex-1-en-3-one
CID 153307172
(E)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 103839582
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
(Z,4S)-4-[(dimethylamino)methyl]-4-methyl-1-phenyloct-1-en-3-one
CID 92528789
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
N-[4-(dimethylamino)butyl]-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 162878387
tert-butyl (E)-3-(4-methoxyphenyl)prop-2-eneperoxoate
CID 142376827
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
CID 69129935
CID 69129935
CID 59090938
CID 59090938

Frequently Asked Questions

What is the IUPAC name of (E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one?
The IUPAC name of (E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one (CID 6250620) is (E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one.
What is the SMILES notation for (E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one?
The canonical SMILES for (E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one is COc1ccc(/C=C/C(=O)C(C)(CN(C)C)CN(C)C)cc1.
What is the InChIKey of (E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one?
The InChIKey is FEALWMXWIXJUGQ-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(13-19(2)3,14-20(4)5)17(21)12-9-15-7-10-16(22-6)11-8-15/h7-12H,13-14H2,1-6H3/b12-9+.
What are the key properties of (E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one?
(E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one has a molecular weight of 304.43 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(dimethylamino)-4-[(dimethylamino)methyl]-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one is sourced from PubChem (CID 6250620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).