(E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide

C21H24N2O2 — CID 60533436

IUPAC(E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide
SMILESCC1CN(c2ccccc2NC(=O)/C=C/c2ccccc2)CC(C)O1
InChIInChI=1S/C21H24N2O2/c1-16-14-23(15-17(2)25-16)20-11-7-6-10-19(20)22-21(24)13-12-18-8-4-3-5-9-18/h3-13,16-17H,14-15H2,1-2H3,(H,22,24)/b13-12+
InChIKeyLVDNXTDYUHOSJH-OUKQBFOZSA-N
MW336.44 g/mol
LogP3.95
Rot. Bonds4

About (E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide

(E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide (PubChem CID 60533436) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide
PubChem CID60533436
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide
SMILESCC1CN(c2ccccc2NC(=O)/C=C/c2ccccc2)CC(C)O1
InChIInChI=1S/C21H24N2O2/c1-16-14-23(15-17(2)25-16)20-11-7-6-10-19(20)22-21(24)13-12-18-8-4-3-5-9-18/h3-13,16-17H,14-15H2,1-2H3,(H,22,24)/b13-12+
InChIKeyLVDNXTDYUHOSJH-OUKQBFOZSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-morpholin-4-ylphenyl)-3-phenylprop-2-enamide
CID 6253583
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(4-hydroxyphenyl)urea
CID 124618726
(Z)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-3-phenylprop-2-enamide
CID 20833523
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea
CID 94154582
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide
CID 94469385
(E)-N-(2-acetamidophenyl)-3-phenylprop-2-enamide
CID 875192
(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide
CID 94154647
1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea
CID 51085659
3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 75618828
N'-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-N-[(2R)-2-hydroxypropyl]oxamide
CID 94444100
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 97024246
(E)-N-(2-morpholin-4-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1291388

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide (CID 60533436) is (E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide is CC1CN(c2ccccc2NC(=O)/C=C/c2ccccc2)CC(C)O1.
What is the InChIKey of (E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is LVDNXTDYUHOSJH-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16-14-23(15-17(2)25-16)20-11-7-6-10-19(20)22-21(24)13-12-18-8-4-3-5-9-18/h3-13,16-17H,14-15H2,1-2H3,(H,22,24)/b13-12+.
What are the key properties of (E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide?
(E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 336.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 60533436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).