(Z)-4-ethyl-2-methyl-5-(2-methylphenyl)-6-morpholin-4-ylhex-4-en-3-one

C20H29NO2 — CID 129170813

IUPAC(Z)-4-ethyl-2-methyl-5-(2-methylphenyl)-6-morpholin-4-ylhex-4-en-3-one
SMILESCC/C(C(=O)C(C)C)=C(/CN1CCOCC1)c1ccccc1C
InChIInChI=1S/C20H29NO2/c1-5-17(20(22)15(2)3)19(14-21-10-12-23-13-11-21)18-9-7-6-8-16(18)4/h6-9,15H,5,10-14H2,1-4H3/b19-17+
InChIKeyFSFKWKDNPOWRGG-HTXNQAPBSA-N
MW315.46 g/mol
LogP3.72
Rot. Bonds6

About (Z)-4-ethyl-2-methyl-5-(2-methylphenyl)-6-morpholin-4-ylhex-4-en-3-one

(Z)-4-ethyl-2-methyl-5-(2-methylphenyl)-6-morpholin-4-ylhex-4-en-3-one (PubChem CID 129170813) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is (Z)-4-ethyl-2-methyl-5-(2-methylphenyl)-6-morpholin-4-ylhex-4-en-3-one.

Molecular Properties

Compound Name(Z)-4-ethyl-2-methyl-5-(2-methylphenyl)-6-morpholin-4-ylhex-4-en-3-one
PubChem CID129170813
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name(Z)-4-ethyl-2-methyl-5-(2-methylphenyl)-6-morpholin-4-ylhex-4-en-3-one
SMILESCC/C(C(=O)C(C)C)=C(/CN1CCOCC1)c1ccccc1C
InChIInChI=1S/C20H29NO2/c1-5-17(20(22)15(2)3)19(14-21-10-12-23-13-11-21)18-9-7-6-8-16(18)4/h6-9,15H,5,10-14H2,1-4H3/b19-17+
InChIKeyFSFKWKDNPOWRGG-HTXNQAPBSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-4-ethyl-2-methyl-5-(2-methylphenyl)-6-morpholin-4-ylhex-4-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride
CID 53347672
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone
CID 55494144
2-(2-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327232
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide
CID 110402733
(2S)-2-(2,6-dimethylphenyl)-2-[methyl(2-morpholin-4-ylethyl)amino]acetic acid
CID 97203147
1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one
CID 13422049
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
(2S)-2-(N-(2-morpholin-4-ylacetyl)anilino)propanoic acid
CID 18658189
propan-2-yl N-(2-methylbenzoyl)morpholine-4-carboximidate
CID 7350888

Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethyl-2-methyl-5-(2-methylphenyl)-6-morpholin-4-ylhex-4-en-3-one?
The IUPAC name of (Z)-4-ethyl-2-methyl-5-(2-methylphenyl)-6-morpholin-4-ylhex-4-en-3-one (CID 129170813) is (Z)-4-ethyl-2-methyl-5-(2-methylphenyl)-6-morpholin-4-ylhex-4-en-3-one.
What is the SMILES notation for (Z)-4-ethyl-2-methyl-5-(2-methylphenyl)-6-morpholin-4-ylhex-4-en-3-one?
The canonical SMILES for (Z)-4-ethyl-2-methyl-5-(2-methylphenyl)-6-morpholin-4-ylhex-4-en-3-one is CC/C(C(=O)C(C)C)=C(/CN1CCOCC1)c1ccccc1C.
What is the InChIKey of (Z)-4-ethyl-2-methyl-5-(2-methylphenyl)-6-morpholin-4-ylhex-4-en-3-one?
The InChIKey is FSFKWKDNPOWRGG-HTXNQAPBSA-N. The full InChI is InChI=1S/C20H29NO2/c1-5-17(20(22)15(2)3)19(14-21-10-12-23-13-11-21)18-9-7-6-8-16(18)4/h6-9,15H,5,10-14H2,1-4H3/b19-17+.
What are the key properties of (Z)-4-ethyl-2-methyl-5-(2-methylphenyl)-6-morpholin-4-ylhex-4-en-3-one?
(Z)-4-ethyl-2-methyl-5-(2-methylphenyl)-6-morpholin-4-ylhex-4-en-3-one has a molecular weight of 315.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethyl-2-methyl-5-(2-methylphenyl)-6-morpholin-4-ylhex-4-en-3-one is sourced from PubChem (CID 129170813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).