N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide

C30H37N3O5 — CID 5038488

IUPACN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCOc1ccc(CC(=O)N(CCN2CCOCC2)CC(=O)N(CCc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C30H37N3O5/c1-36-27-11-9-26(10-12-27)22-29(34)33(16-15-31-17-20-37-21-18-31)24-30(35)32(23-28-8-5-19-38-28)14-13-25-6-3-2-4-7-25/h2-12,19H,13-18,20-24H2,1H3
InChIKeyFYVOKOUTRIMEKI-UHFFFAOYSA-N
MW519.64 g/mol
LogP3.26
Rot. Bonds13

About N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide

N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 5038488) has the molecular formula C30H37N3O5 and a molecular weight of 519.64 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID5038488
Molecular FormulaC30H37N3O5
Molecular Weight519.64 g/mol
Exact Mass519.27
IUPAC NameN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCOc1ccc(CC(=O)N(CCN2CCOCC2)CC(=O)N(CCc2ccccc2)Cc2ccco2)cc1
InChIInChI=1S/C30H37N3O5/c1-36-27-11-9-26(10-12-27)22-29(34)33(16-15-31-17-20-37-21-18-31)24-30(35)32(23-28-8-5-19-38-28)14-13-25-6-3-2-4-7-25/h2-12,19H,13-18,20-24H2,1H3
InChIKeyFYVOKOUTRIMEKI-UHFFFAOYSA-N
XLogP3.26
TPSA75.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.64
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide
CID 3490337
3-fluoro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 3371918
2-[(2,3-dimethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3894697
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)sulfonyl-(2-morpholin-4-ylethyl)amino]-N-(2-phenylethyl)acetamide
CID 4315085
2-[tert-butylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 3340944
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,5-dimethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 4118969
N,N-bis(furan-2-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 52548109
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-4-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 4143495
N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide
CID 42773151
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)cyclopropanecarboxamide
CID 4044029
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)nonanamide
CID 3941830
N-benzyl-N-(furan-2-ylmethyl)-2-[3-morpholin-4-ylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 3539286

Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide (CID 5038488) is N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide is COc1ccc(CC(=O)N(CCN2CCOCC2)CC(=O)N(CCc2ccccc2)Cc2ccco2)cc1.
What is the InChIKey of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is FYVOKOUTRIMEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O5/c1-36-27-11-9-26(10-12-27)22-29(34)33(16-15-31-17-20-37-21-18-31)24-30(35)32(23-28-8-5-19-38-28)14-13-25-6-3-2-4-7-25/h2-12,19H,13-18,20-24H2,1H3.
What are the key properties of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide?
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 519.64 g/mol, XLogP of 3.26, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 5038488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).