N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-prop-2-enylbenzamide

C28H32N2O4 — CID 5136606

IUPACN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-prop-2-enylbenzamide
SMILESC=CCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)c1ccc(OCCCC)cc1
InChIInChI=1S/C28H32N2O4/c1-3-5-18-33-25-15-13-24(14-16-25)28(32)29(17-4-2)22-27(31)30(21-26-12-9-19-34-26)20-23-10-7-6-8-11-23/h4,6-16,19H,2-3,5,17-18,20-22H2,1H3
InChIKeyBICGGNCVSVKABM-UHFFFAOYSA-N
MW460.57 g/mol
LogP5.32
Rot. Bonds13

About N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-prop-2-enylbenzamide

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-prop-2-enylbenzamide (PubChem CID 5136606) has the molecular formula C28H32N2O4 and a molecular weight of 460.57 g/mol. Its IUPAC name is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-prop-2-enylbenzamide
PubChem CID5136606
Molecular FormulaC28H32N2O4
Molecular Weight460.57 g/mol
Exact Mass460.24
IUPAC NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-prop-2-enylbenzamide
SMILESC=CCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)c1ccc(OCCCC)cc1
InChIInChI=1S/C28H32N2O4/c1-3-5-18-33-25-15-13-24(14-16-25)28(32)29(17-4-2)22-27(31)30(21-26-12-9-19-34-26)20-23-10-7-6-8-11-23/h4,6-16,19H,2-3,5,17-18,20-22H2,1H3
InChIKeyBICGGNCVSVKABM-UHFFFAOYSA-N
XLogP5.32
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.57
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-(furan-2-ylmethyl)-N-(2-phenylethyl)benzamide
CID 42773272
N-benzyl-2-[(4-ethoxyphenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)acetamide
CID 3928097
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 4098227
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenyl-N-prop-2-enylbenzamide
CID 3999043
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-pentylbenzamide
CID 4550872
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-hexyl-N-(3-methoxypropyl)benzamide
CID 3896391
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 3596156
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-methoxypropyl)-4-phenylbenzamide
CID 5166760
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42773009
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-prop-2-enyltetradecanamide
CID 42664586
N-benzyl-4-butoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 5126774
N-benzyl-N-(furan-2-ylmethyl)-2-[(2-phenylsulfanylacetyl)-prop-2-enylamino]acetamide
CID 3634552

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-prop-2-enylbenzamide?
The IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-prop-2-enylbenzamide (CID 5136606) is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-prop-2-enylbenzamide.
What is the SMILES notation for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-prop-2-enylbenzamide?
The canonical SMILES for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-prop-2-enylbenzamide is C=CCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)c1ccc(OCCCC)cc1.
What is the InChIKey of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-prop-2-enylbenzamide?
The InChIKey is BICGGNCVSVKABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4/c1-3-5-18-33-25-15-13-24(14-16-25)28(32)29(17-4-2)22-27(31)30(21-26-12-9-19-34-26)20-23-10-7-6-8-11-23/h4,6-16,19H,2-3,5,17-18,20-22H2,1H3.
What are the key properties of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-prop-2-enylbenzamide?
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-prop-2-enylbenzamide has a molecular weight of 460.57 g/mol, XLogP of 5.32, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butoxy-N-prop-2-enylbenzamide is sourced from PubChem (CID 5136606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).