2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide

C23H33N3O4 — CID 4312490

IUPAC2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
SMILESCOCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)NC(C)(C)C
InChIInChI=1S/C23H33N3O4/c1-23(2,3)24-22(28)26(14-16-29-4)18-21(27)25(17-20-11-8-15-30-20)13-12-19-9-6-5-7-10-19/h5-11,15H,12-14,16-18H2,1-4H3,(H,24,28)
InChIKeyLQTMLTOHEZKONB-UHFFFAOYSA-N
MW415.53 g/mol
LogP3.31
Rot. Bonds10

About 2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide

2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide (PubChem CID 4312490) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is 2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
PubChem CID4312490
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Name2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
SMILESCOCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)NC(C)(C)C
InChIInChI=1S/C23H33N3O4/c1-23(2,3)24-22(28)26(14-16-29-4)18-21(27)25(17-20-11-8-15-30-20)13-12-19-9-6-5-7-10-19/h5-11,15H,12-14,16-18H2,1-4H3,(H,24,28)
InChIKeyLQTMLTOHEZKONB-UHFFFAOYSA-N
XLogP3.31
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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]-N-(2-methoxyethyl)-4-methylbenzamide
CID 3911576
2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 4659721
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)adamantane-1-carboxamide
CID 4021394
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide
CID 3880585
N-(furan-2-ylmethyl)-2-(2-methoxyethylamino)-N-(2-phenylethyl)acetamide
CID 24715047
2-[benzylsulfonyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3911798
N-(2-methoxyethyl)-N-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 3919322
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42773009
N-benzyl-2-[(3,4-dimethylphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3379104
N-benzyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 42773023
N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 32992758

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide (CID 4312490) is 2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide is COCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
The InChIKey is LQTMLTOHEZKONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-23(2,3)24-22(28)26(14-16-29-4)18-21(27)25(17-20-11-8-15-30-20)13-12-19-9-6-5-7-10-19/h5-11,15H,12-14,16-18H2,1-4H3,(H,24,28).
What are the key properties of 2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide?
2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide has a molecular weight of 415.53 g/mol, XLogP of 3.31, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 4312490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).