4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide

C28H34N2O3 — CID 4030396

IUPAC4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
SMILESCCc1ccc(C(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccco2)CC(C)C)cc1
InChIInChI=1S/C28H34N2O3/c1-4-23-12-14-25(15-13-23)28(32)30(19-22(2)3)21-27(31)29(20-26-11-8-18-33-26)17-16-24-9-6-5-7-10-24/h5-15,18,22H,4,16-17,19-21H2,1-3H3
InChIKeyAWRWVMPYQUKTKP-UHFFFAOYSA-N
MW446.59 g/mol
LogP5.21
Rot. Bonds11

About 4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide

4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide (PubChem CID 4030396) has the molecular formula C28H34N2O3 and a molecular weight of 446.59 g/mol. Its IUPAC name is 4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
PubChem CID4030396
Molecular FormulaC28H34N2O3
Molecular Weight446.59 g/mol
Exact Mass446.26
IUPAC Name4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
SMILESCCc1ccc(C(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccco2)CC(C)C)cc1
InChIInChI=1S/C28H34N2O3/c1-4-23-12-14-25(15-13-23)28(32)30(19-22(2)3)21-27(31)29(20-26-11-8-18-33-26)17-16-24-9-6-5-7-10-24/h5-15,18,22H,4,16-17,19-21H2,1-3H3
InChIKeyAWRWVMPYQUKTKP-UHFFFAOYSA-N
XLogP5.21
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3572211
N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 3665303
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide
CID 3358499
N-butan-2-yl-4-butyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]benzamide
CID 5123105
4-methyl-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3939552
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-ethyl-N-(2-methylpropyl)benzamide
CID 3670156
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 3911576
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 3925001
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)-2-phenylacetamide
CID 3644955
2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3983423
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propan-2-ylbenzamide
CID 3690061
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenyl-N-prop-2-enylbenzamide
CID 3999043

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide (CID 4030396) is 4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide is CCc1ccc(C(=O)N(CC(=O)N(CCc2ccccc2)Cc2ccco2)CC(C)C)cc1.
What is the InChIKey of 4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?
The InChIKey is AWRWVMPYQUKTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O3/c1-4-23-12-14-25(15-13-23)28(32)30(19-22(2)3)21-27(31)29(20-26-11-8-18-33-26)17-16-24-9-6-5-7-10-24/h5-15,18,22H,4,16-17,19-21H2,1-3H3.
What are the key properties of 4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide?
4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide has a molecular weight of 446.59 g/mol, XLogP of 5.21, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 4030396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).