2-[(2,3-dimethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide

C30H38N4O4 — CID 3894697

IUPAC2-[(2,3-dimethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
SMILESCc1cccc(NC(=O)N(CCN2CCOCC2)CC(=O)N(CCc2ccccc2)Cc2ccco2)c1C
InChIInChI=1S/C30H38N4O4/c1-24-8-6-12-28(25(24)2)31-30(36)34(16-15-32-17-20-37-21-18-32)23-29(35)33(22-27-11-7-19-38-27)14-13-26-9-4-3-5-10-26/h3-12,19H,13-18,20-23H2,1-2H3,(H,31,36)
InChIKeySHYCOYWQRBWVIX-UHFFFAOYSA-N
MW518.66 g/mol
LogP4.33
Rot. Bonds11

About 2-[(2,3-dimethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide

2-[(2,3-dimethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide (PubChem CID 3894697) has the molecular formula C30H38N4O4 and a molecular weight of 518.66 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2,3-dimethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
PubChem CID3894697
Molecular FormulaC30H38N4O4
Molecular Weight518.66 g/mol
Exact Mass518.29
IUPAC Name2-[(2,3-dimethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
SMILESCc1cccc(NC(=O)N(CCN2CCOCC2)CC(=O)N(CCc2ccccc2)Cc2ccco2)c1C
InChIInChI=1S/C30H38N4O4/c1-24-8-6-12-28(25(24)2)31-30(36)34(16-15-32-17-20-37-21-18-32)23-29(35)33(22-27-11-7-19-38-27)14-13-26-9-4-3-5-10-26/h3-12,19H,13-18,20-23H2,1-2H3,(H,31,36)
InChIKeySHYCOYWQRBWVIX-UHFFFAOYSA-N
XLogP4.33
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.66
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl(phenylcarbamoyl)amino]acetamide
CID 42773151
N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 4983558
2-[furan-2-ylmethyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 5110905
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)nonanamide
CID 3490337
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 5038488
3-fluoro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 3371918
N-benzyl-N-(furan-2-ylmethyl)-2-[(4-methylsulfanylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]acetamide
CID 3433522
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-(1,3-benzodioxol-5-ylmethyl)-2-[(2,4-dimethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 5189771
N-benzyl-2-[(2-ethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3638124
N-benzyl-2-[(3-fluorophenyl)carbamoyl-(3-morpholin-4-ylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4255945

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(2,3-dimethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide (CID 3894697) is 2-[(2,3-dimethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2,3-dimethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(2,3-dimethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide is Cc1cccc(NC(=O)N(CCN2CCOCC2)CC(=O)N(CCc2ccccc2)Cc2ccco2)c1C.
What is the InChIKey of 2-[(2,3-dimethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
The InChIKey is SHYCOYWQRBWVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O4/c1-24-8-6-12-28(25(24)2)31-30(36)34(16-15-32-17-20-37-21-18-32)23-29(35)33(22-27-11-7-19-38-27)14-13-26-9-4-3-5-10-26/h3-12,19H,13-18,20-23H2,1-2H3,(H,31,36).
What are the key properties of 2-[(2,3-dimethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
2-[(2,3-dimethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide has a molecular weight of 518.66 g/mol, XLogP of 4.33, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylphenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 3894697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).