(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide

C20H22N2O2 — CID 950916

IUPAC(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H22N2O2/c23-20(11-8-17-4-2-1-3-5-17)21-19-9-6-18(7-10-19)16-22-12-14-24-15-13-22/h1-11H,12-16H2,(H,21,23)/b11-8+
InChIKeyPJSTUIZLMYTBTM-DHZHZOJOSA-N
MW322.41 g/mol
LogP3.17
Rot. Bonds5

About (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide

(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide (PubChem CID 950916) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide
PubChem CID950916
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C20H22N2O2/c23-20(11-8-17-4-2-1-3-5-17)21-19-9-6-18(7-10-19)16-22-12-14-24-15-13-22/h1-11H,12-16H2,(H,21,23)/b11-8+
InChIKeyPJSTUIZLMYTBTM-DHZHZOJOSA-N
XLogP3.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.17
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

3-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 1493876
(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-phenylprop-2-enamide
CID 1128763
3-(4-chlorophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enamide
CID 925582
(E)-N-[4-(chloromethyl)phenyl]-3-phenylprop-2-enamide
CID 11231080
(Z)-N-(4-morpholin-4-ylsulfonylphenyl)-3-phenylprop-2-enamide
CID 2139660
N-(4-bromophenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]prop-2-enamide
CID 68817727
(E)-3-[4-(1-benzylpyrazol-4-yl)-3-pyridinyl]-N-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568590
(E)-N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]-3-(5-phenylfuran-2-yl)prop-2-enamide
CID 17274359
(E)-3-(3-chlorophenyl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enamide
CID 108766005
(Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 69488579
(E)-3-phenyl-N-[3-(thiomorpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 10830868
(E)-N-[4-(4-benzylpiperazin-1-yl)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 46698969

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide (CID 950916) is (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide?
The InChIKey is PJSTUIZLMYTBTM-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-20(11-8-17-4-2-1-3-5-17)21-19-9-6-18(7-10-19)16-22-12-14-24-15-13-22/h1-11H,12-16H2,(H,21,23)/b11-8+.
What are the key properties of (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide?
(E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide has a molecular weight of 322.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(morpholin-4-ylmethyl)phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 950916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).