N-methyl-4-[3-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methylamino]-3-oxoprop-1-enyl]benzamide

C25H30N4O4 — CID 55888484

IUPACN-methyl-4-[3-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methylamino]-3-oxoprop-1-enyl]benzamide
SMILESCNC(=O)c1ccc(C=CC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)cc1
InChIInChI=1S/C25H30N4O4/c1-26-25(32)21-8-5-19(6-9-21)7-10-23(30)27-18-20-3-2-4-22(17-20)28-24(31)11-12-29-13-15-33-16-14-29/h2-10,17H,11-16,18H2,1H3,(H,26,32)(H,27,30)(H,28,31)
InChIKeyIYOSXSDTSIPUTP-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.04
Rot. Bonds9

About N-methyl-4-[3-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methylamino]-3-oxoprop-1-enyl]benzamide

N-methyl-4-[3-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methylamino]-3-oxoprop-1-enyl]benzamide (PubChem CID 55888484) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is N-methyl-4-[3-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methylamino]-3-oxoprop-1-enyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[3-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methylamino]-3-oxoprop-1-enyl]benzamide
PubChem CID55888484
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC NameN-methyl-4-[3-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methylamino]-3-oxoprop-1-enyl]benzamide
SMILESCNC(=O)c1ccc(C=CC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)cc1
InChIInChI=1S/C25H30N4O4/c1-26-25(32)21-8-5-19(6-9-21)7-10-23(30)27-18-20-3-2-4-22(17-20)28-24(31)11-12-29-13-15-33-16-14-29/h2-10,17H,11-16,18H2,1H3,(H,26,32)(H,27,30)(H,28,31)
InChIKeyIYOSXSDTSIPUTP-UHFFFAOYSA-N
XLogP2.04
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 60536121
3-morpholin-4-yl-N-[3-[[3-[2-(trifluoromethoxy)phenyl]prop-2-enoylamino]methyl]phenyl]propanamide
CID 55990563
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]-3-(propan-2-ylamino)benzamide
CID 86937453
3-methylsulfonyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
CID 55887600
N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]naphthalene-1-carboxamide
CID 60536022
N-methyl-4-[(E)-3-[3-(morpholine-4-carbonyl)anilino]-3-oxoprop-1-enyl]benzamide
CID 55797078
3-morpholin-4-yl-N-[3-[[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]methyl]phenyl]propanamide
CID 55946576
1-amino-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119849215
1-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]indole-3-carboxamide
CID 55991087
4-(benzimidazol-1-yl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
CID 55945184
5-amino-2-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide;dihydrochloride
CID 120642238
N-[3-[[3-(3,5-dimethylpyrazol-1-yl)propanoylamino]methyl]phenyl]-3-morpholin-4-ylpropanamide
CID 55886714

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methylamino]-3-oxoprop-1-enyl]benzamide?
The IUPAC name of N-methyl-4-[3-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methylamino]-3-oxoprop-1-enyl]benzamide (CID 55888484) is N-methyl-4-[3-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methylamino]-3-oxoprop-1-enyl]benzamide.
What is the SMILES notation for N-methyl-4-[3-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methylamino]-3-oxoprop-1-enyl]benzamide?
The canonical SMILES for N-methyl-4-[3-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methylamino]-3-oxoprop-1-enyl]benzamide is CNC(=O)c1ccc(C=CC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)cc1.
What is the InChIKey of N-methyl-4-[3-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methylamino]-3-oxoprop-1-enyl]benzamide?
The InChIKey is IYOSXSDTSIPUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-26-25(32)21-8-5-19(6-9-21)7-10-23(30)27-18-20-3-2-4-22(17-20)28-24(31)11-12-29-13-15-33-16-14-29/h2-10,17H,11-16,18H2,1H3,(H,26,32)(H,27,30)(H,28,31).
What are the key properties of N-methyl-4-[3-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methylamino]-3-oxoprop-1-enyl]benzamide?
N-methyl-4-[3-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methylamino]-3-oxoprop-1-enyl]benzamide has a molecular weight of 450.54 g/mol, XLogP of 2.04, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methylamino]-3-oxoprop-1-enyl]benzamide is sourced from PubChem (CID 55888484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).