N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-prop-2-enylbenzamide

C27H30N2O5 — CID 4280839

IUPACN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-prop-2-enylbenzamide
SMILESC=CCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C27H30N2O5/c1-4-15-29(27(31)24-13-12-22(32-2)18-25(24)33-3)20-26(30)28(19-23-11-8-17-34-23)16-14-21-9-6-5-7-10-21/h4-13,17-18H,1,14-16,19-20H2,2-3H3
InChIKeyJQYGWPWVBHWDKH-UHFFFAOYSA-N
MW462.55 g/mol
LogP4.20
Rot. Bonds12

About N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-prop-2-enylbenzamide

N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-prop-2-enylbenzamide (PubChem CID 4280839) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-prop-2-enylbenzamide
PubChem CID4280839
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC NameN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-prop-2-enylbenzamide
SMILESC=CCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C27H30N2O5/c1-4-15-29(27(31)24-13-12-22(32-2)18-25(24)33-3)20-26(30)28(19-23-11-8-17-34-23)16-14-21-9-6-5-7-10-21/h4-13,17-18H,1,14-16,19-20H2,2-3H3
InChIKeyJQYGWPWVBHWDKH-UHFFFAOYSA-N
XLogP4.20
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenyl-N-prop-2-enylbenzamide
CID 3999043
N-(furan-2-ylmethyl)-2-[(2-phenoxyacetyl)-prop-2-enylamino]-N-(2-phenylethyl)acetamide
CID 3906755
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-prop-2-enylthiophene-2-carboxamide
CID 3456879
2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 4659721
2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3602263
2-[(3,4-dimethylphenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 5183118
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-prop-2-enyltetradecanamide
CID 42664586
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide
CID 3880585
2-[(2-ethoxyphenyl)carbamoyl-prop-2-enylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3305402
N-ethyl-2,4-dimethoxy-N-(2-phenylethyl)benzamide
CID 54790307
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbenzamide
CID 4033759
N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methoxybenzamide
CID 93109724

Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-prop-2-enylbenzamide?
The IUPAC name of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-prop-2-enylbenzamide (CID 4280839) is N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-prop-2-enylbenzamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-prop-2-enylbenzamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-prop-2-enylbenzamide is C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)c1ccc(OC)cc1OC.
What is the InChIKey of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-prop-2-enylbenzamide?
The InChIKey is JQYGWPWVBHWDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5/c1-4-15-29(27(31)24-13-12-22(32-2)18-25(24)33-3)20-26(30)28(19-23-11-8-17-34-23)16-14-21-9-6-5-7-10-21/h4-13,17-18H,1,14-16,19-20H2,2-3H3.
What are the key properties of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-prop-2-enylbenzamide?
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-prop-2-enylbenzamide has a molecular weight of 462.55 g/mol, XLogP of 4.20, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-prop-2-enylbenzamide is sourced from PubChem (CID 4280839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).