(E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide

C30H35N3O4 — CID 6012187

IUPAC(E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N(CCCN1CCOCC1)CC(=O)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C30H35N3O4/c34-29(15-14-26-9-3-1-4-10-26)32(17-8-16-31-18-21-36-22-19-31)25-30(35)33(24-28-13-7-20-37-28)23-27-11-5-2-6-12-27/h1-7,9-15,20H,8,16-19,21-25H2/b15-14+
InChIKeySCXXRAQAITWNJI-CCEZHUSRSA-N
MW501.63 g/mol
LogP4.07
Rot. Bonds12

About (E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide

(E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide (PubChem CID 6012187) has the molecular formula C30H35N3O4 and a molecular weight of 501.63 g/mol. Its IUPAC name is (E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
PubChem CID6012187
Molecular FormulaC30H35N3O4
Molecular Weight501.63 g/mol
Exact Mass501.26
IUPAC Name(E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
SMILESO=C(/C=C/c1ccccc1)N(CCCN1CCOCC1)CC(=O)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C30H35N3O4/c34-29(15-14-26-9-3-1-4-10-26)32(17-8-16-31-18-21-36-22-19-31)25-30(35)33(24-28-13-7-20-37-28)23-27-11-5-2-6-12-27/h1-7,9-15,20H,8,16-19,21-25H2/b15-14+
InChIKeySCXXRAQAITWNJI-CCEZHUSRSA-N
XLogP4.07
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.63
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide with MolForge

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Related Compounds

(E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide
CID 6004837
(E)-N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-3-phenylprop-2-enamide
CID 6278984
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2-methyl-N-(3-morpholin-4-ylpropyl)propanamide
CID 4990910
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3-methyl-N-(3-morpholin-4-ylpropyl)butanamide
CID 3488894
N-benzyl-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 3539286
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 3401925
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 4118969
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 4098227
N-[2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-(4-nitrophenyl)prop-2-enamide
CID 4040954
N-benzyl-2-[(3-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4255945
N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylsulfanylphenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]acetamide
CID 3373428
N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide
CID 42773151

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide (CID 6012187) is (E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide is O=C(/C=C/c1ccccc1)N(CCCN1CCOCC1)CC(=O)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of (E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide?
The InChIKey is SCXXRAQAITWNJI-CCEZHUSRSA-N. The full InChI is InChI=1S/C30H35N3O4/c34-29(15-14-26-9-3-1-4-10-26)32(17-8-16-31-18-21-36-22-19-31)25-30(35)33(24-28-13-7-20-37-28)23-27-11-5-2-6-12-27/h1-7,9-15,20H,8,16-19,21-25H2/b15-14+.
What are the key properties of (E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide?
(E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide has a molecular weight of 501.63 g/mol, XLogP of 4.07, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 6012187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).