(E)-3-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide

C22H27N3O4 — CID 51361728

IUPAC(E)-3-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide
SMILESCOc1ccccc1/C=C(\C(=O)NCCCN1CCOCC1)n1ccccc1=O
InChIInChI=1S/C22H27N3O4/c1-28-20-8-3-2-7-18(20)17-19(25-12-5-4-9-21(25)26)22(27)23-10-6-11-24-13-15-29-16-14-24/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,27)/b19-17+
InChIKeySXMKLRJZVWAYJJ-HTXNQAPBSA-N
MW397.48 g/mol
LogP1.69
Rot. Bonds8

About (E)-3-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide

(E)-3-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide (PubChem CID 51361728) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide
PubChem CID51361728
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name(E)-3-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide
SMILESCOc1ccccc1/C=C(\C(=O)NCCCN1CCOCC1)n1ccccc1=O
InChIInChI=1S/C22H27N3O4/c1-28-20-8-3-2-7-18(20)17-19(25-12-5-4-9-21(25)26)22(27)23-10-6-11-24-13-15-29-16-14-24/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,27)/b19-17+
InChIKeySXMKLRJZVWAYJJ-HTXNQAPBSA-N
XLogP1.69
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902502
1-[(E)-3-(4-benzylpiperidin-1-yl)-1-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one
CID 25246820
N'-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-N-(3-morpholin-4-ylpropyl)oxamide
CID 126261566
N-(3-morpholin-4-ylpropyl)-2-phenylpent-2-enamide
CID 140983170
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
(E)-3-(2-methoxyphenyl)-2-(2-oxo-1-pyridinyl)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 7321014
N-[(2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;oxalic acid
CID 17053127
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5426268
N-[1-[1-(dimethylsulfamoyl)indol-3-yl]-3-(3-morpholin-4-ylpropylamino)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide
CID 3615880
N'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 108510277
5-methoxy-N-(3-morpholin-4-ylpropyl)-4-oxo-1H-pyridine-2-carboxamide
CID 125431560
(E)-3-(2-methoxyphenyl)-1-[2-(3-morpholin-4-ylpropoxy)phenyl]prop-2-en-1-one;hydrochloride
CID 155548738

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide (CID 51361728) is (E)-3-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide is COc1ccccc1/C=C(\C(=O)NCCCN1CCOCC1)n1ccccc1=O.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide?
The InChIKey is SXMKLRJZVWAYJJ-HTXNQAPBSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-28-20-8-3-2-7-18(20)17-19(25-12-5-4-9-21(25)26)22(27)23-10-6-11-24-13-15-29-16-14-24/h2-5,7-9,12,17H,6,10-11,13-16H2,1H3,(H,23,27)/b19-17+.
What are the key properties of (E)-3-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide?
(E)-3-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide has a molecular weight of 397.48 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-2-(2-oxo-1-pyridinyl)prop-2-enamide is sourced from PubChem (CID 51361728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).