[4-[(2E,4Z)-4-methyl-5-propan-2-ylhepta-2,4,6-trien-3-yl]phenyl]-morpholin-4-ylmethanone

C22H29NO2 — CID 147217373

IUPAC[4-[(2E,4Z)-4-methyl-5-propan-2-ylhepta-2,4,6-trien-3-yl]phenyl]-morpholin-4-ylmethanone
SMILESC=C/C(=C(C)\C(=C\C)c1ccc(C(=O)N2CCOCC2)cc1)C(C)C
InChIInChI=1S/C22H29NO2/c1-6-20(16(3)4)17(5)21(7-2)18-8-10-19(11-9-18)22(24)23-12-14-25-15-13-23/h6-11,16H,1,12-15H2,2-5H3/b20-17+,21-7-
InChIKeyCGJRGZRCLFYZOB-OIBQCGPFSA-N
MW339.48 g/mol
LogP4.72
Rot. Bonds5

About [4-[(2E,4Z)-4-methyl-5-propan-2-ylhepta-2,4,6-trien-3-yl]phenyl]-morpholin-4-ylmethanone

[4-[(2E,4Z)-4-methyl-5-propan-2-ylhepta-2,4,6-trien-3-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 147217373) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is [4-[(2E,4Z)-4-methyl-5-propan-2-ylhepta-2,4,6-trien-3-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[(2E,4Z)-4-methyl-5-propan-2-ylhepta-2,4,6-trien-3-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID147217373
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name[4-[(2E,4Z)-4-methyl-5-propan-2-ylhepta-2,4,6-trien-3-yl]phenyl]-morpholin-4-ylmethanone
SMILESC=C/C(=C(C)\C(=C\C)c1ccc(C(=O)N2CCOCC2)cc1)C(C)C
InChIInChI=1S/C22H29NO2/c1-6-20(16(3)4)17(5)21(7-2)18-8-10-19(11-9-18)22(24)23-12-14-25-15-13-23/h6-11,16H,1,12-15H2,2-5H3/b20-17+,21-7-
InChIKeyCGJRGZRCLFYZOB-OIBQCGPFSA-N
XLogP4.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
(3-ethenyl-4-methylphenyl)-morpholin-4-ylmethanone
CID 154827558
N-[4-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]prop-2-enamide
CID 166403525
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996
[4-hydroxy-3-(3-methylbutan-2-yl)phenyl]-morpholin-4-ylmethanone
CID 59382251
[4-[(2S)-1-(dimethylamino)-2-(methylamino)propyl]phenyl]-morpholin-4-ylmethanone;ethane
CID 145029225
morpholin-4-yl-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]methanone
CID 68914754

Frequently Asked Questions

What is the IUPAC name of [4-[(2E,4Z)-4-methyl-5-propan-2-ylhepta-2,4,6-trien-3-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[(2E,4Z)-4-methyl-5-propan-2-ylhepta-2,4,6-trien-3-yl]phenyl]-morpholin-4-ylmethanone (CID 147217373) is [4-[(2E,4Z)-4-methyl-5-propan-2-ylhepta-2,4,6-trien-3-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[(2E,4Z)-4-methyl-5-propan-2-ylhepta-2,4,6-trien-3-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[(2E,4Z)-4-methyl-5-propan-2-ylhepta-2,4,6-trien-3-yl]phenyl]-morpholin-4-ylmethanone is C=C/C(=C(C)\C(=C\C)c1ccc(C(=O)N2CCOCC2)cc1)C(C)C.
What is the InChIKey of [4-[(2E,4Z)-4-methyl-5-propan-2-ylhepta-2,4,6-trien-3-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is CGJRGZRCLFYZOB-OIBQCGPFSA-N. The full InChI is InChI=1S/C22H29NO2/c1-6-20(16(3)4)17(5)21(7-2)18-8-10-19(11-9-18)22(24)23-12-14-25-15-13-23/h6-11,16H,1,12-15H2,2-5H3/b20-17+,21-7-.
What are the key properties of [4-[(2E,4Z)-4-methyl-5-propan-2-ylhepta-2,4,6-trien-3-yl]phenyl]-morpholin-4-ylmethanone?
[4-[(2E,4Z)-4-methyl-5-propan-2-ylhepta-2,4,6-trien-3-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 339.48 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2E,4Z)-4-methyl-5-propan-2-ylhepta-2,4,6-trien-3-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 147217373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).