N-methyl-4-[(E)-3-[3-(morpholine-4-carbonyl)anilino]-3-oxoprop-1-enyl]benzamide

C22H23N3O4 — CID 55797078

IUPACN-methyl-4-[(E)-3-[3-(morpholine-4-carbonyl)anilino]-3-oxoprop-1-enyl]benzamide
SMILESCNC(=O)c1ccc(/C=C/C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H23N3O4/c1-23-21(27)17-8-5-16(6-9-17)7-10-20(26)24-19-4-2-3-18(15-19)22(28)25-11-13-29-14-12-25/h2-10,15H,11-14H2,1H3,(H,23,27)(H,24,26)/b10-7+
InChIKeyUJLLEDISHNLPDL-JXMROGBWSA-N
MW393.44 g/mol
LogP2.17
Rot. Bonds5

About N-methyl-4-[(E)-3-[3-(morpholine-4-carbonyl)anilino]-3-oxoprop-1-enyl]benzamide

N-methyl-4-[(E)-3-[3-(morpholine-4-carbonyl)anilino]-3-oxoprop-1-enyl]benzamide (PubChem CID 55797078) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-methyl-4-[(E)-3-[3-(morpholine-4-carbonyl)anilino]-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[(E)-3-[3-(morpholine-4-carbonyl)anilino]-3-oxoprop-1-enyl]benzamide
PubChem CID55797078
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-methyl-4-[(E)-3-[3-(morpholine-4-carbonyl)anilino]-3-oxoprop-1-enyl]benzamide
SMILESCNC(=O)c1ccc(/C=C/C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C22H23N3O4/c1-23-21(27)17-8-5-16(6-9-17)7-10-20(26)24-19-4-2-3-18(15-19)22(28)25-11-13-29-14-12-25/h2-10,15H,11-14H2,1H3,(H,23,27)(H,24,26)/b10-7+
InChIKeyUJLLEDISHNLPDL-JXMROGBWSA-N
XLogP2.17
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methoxyphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]prop-2-enamide
CID 17205470
(E)-4-[3-(morpholine-4-carbonyl)anilino]-4-oxobut-2-enoic acid
CID 17205425
methyl 4-[(E)-3-[3-(methylcarbamoyl)anilino]-3-oxoprop-1-enyl]benzoate
CID 31524849
N-methyl-3-[[2-[4-(morpholine-4-carbonyl)anilino]acetyl]amino]benzamide
CID 54832192
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
4-[(E)-3-[3-(azepan-1-ylsulfonyl)anilino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 55558580
N-methyl-4-[3-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methylamino]-3-oxoprop-1-enyl]benzamide
CID 55888484
(E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 98823643
3-[[(E)-3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoyl]amino]-N-methylbenzamide
CID 55510509
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
N-(3-acetamidophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045524

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(E)-3-[3-(morpholine-4-carbonyl)anilino]-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-methyl-4-[(E)-3-[3-(morpholine-4-carbonyl)anilino]-3-oxoprop-1-enyl]benzamide (CID 55797078) is N-methyl-4-[(E)-3-[3-(morpholine-4-carbonyl)anilino]-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-methyl-4-[(E)-3-[3-(morpholine-4-carbonyl)anilino]-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-methyl-4-[(E)-3-[3-(morpholine-4-carbonyl)anilino]-3-oxoprop-1-enyl]benzamide is CNC(=O)c1ccc(/C=C/C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N-methyl-4-[(E)-3-[3-(morpholine-4-carbonyl)anilino]-3-oxoprop-1-enyl]benzamide?
The InChIKey is UJLLEDISHNLPDL-JXMROGBWSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-23-21(27)17-8-5-16(6-9-17)7-10-20(26)24-19-4-2-3-18(15-19)22(28)25-11-13-29-14-12-25/h2-10,15H,11-14H2,1H3,(H,23,27)(H,24,26)/b10-7+.
What are the key properties of N-methyl-4-[(E)-3-[3-(morpholine-4-carbonyl)anilino]-3-oxoprop-1-enyl]benzamide?
N-methyl-4-[(E)-3-[3-(morpholine-4-carbonyl)anilino]-3-oxoprop-1-enyl]benzamide has a molecular weight of 393.44 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(E)-3-[3-(morpholine-4-carbonyl)anilino]-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 55797078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).