2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide

C27H33N3O6 — CID 4659721

IUPAC2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
SMILESCOCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C27H33N3O6/c1-33-17-15-30(27(32)28-24-12-11-22(34-2)18-25(24)35-3)20-26(31)29(19-23-10-7-16-36-23)14-13-21-8-5-4-6-9-21/h4-12,16,18H,13-15,17,19-20H2,1-3H3,(H,28,32)
InChIKeyAYTTXPAWMHDOOL-UHFFFAOYSA-N
MW495.58 g/mol
LogP4.05
Rot. Bonds13

About 2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide

2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide (PubChem CID 4659721) has the molecular formula C27H33N3O6 and a molecular weight of 495.58 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
PubChem CID4659721
Molecular FormulaC27H33N3O6
Molecular Weight495.58 g/mol
Exact Mass495.24
IUPAC Name2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
SMILESCOCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C27H33N3O6/c1-33-17-15-30(27(32)28-24-12-11-22(34-2)18-25(24)35-3)20-26(31)29(19-23-10-7-16-36-23)14-13-21-8-5-4-6-9-21/h4-12,16,18H,13-15,17,19-20H2,1-3H3,(H,28,32)
InChIKeyAYTTXPAWMHDOOL-UHFFFAOYSA-N
XLogP4.05
TPSA93.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3602263
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-ethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4277048
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 5010205
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide
CID 3880585
2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 4312490
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 4689277
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(3-methoxypropyl)amino]acetamide
CID 3984362
2-[(2,6-dichlorophenyl)carbamoyl-(2-methoxyethyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 4619610
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
CID 3924733
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2,4-dimethoxy-N-prop-2-enylbenzamide
CID 4280839
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-2-[2-methoxyethyl-[(2-methoxyphenyl)carbamoyl]amino]acetamide
CID 4205237
N-benzyl-2-[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3379104

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide (CID 4659721) is 2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide is COCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
The InChIKey is AYTTXPAWMHDOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O6/c1-33-17-15-30(27(32)28-24-12-11-22(34-2)18-25(24)35-3)20-26(31)29(19-23-10-7-16-36-23)14-13-21-8-5-4-6-9-21/h4-12,16,18H,13-15,17,19-20H2,1-3H3,(H,28,32).
What are the key properties of 2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide has a molecular weight of 495.58 g/mol, XLogP of 4.05, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 4659721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).