N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide

C23H30N2O4 — CID 3924733

IUPACN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
SMILESCOCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)C1CCC1
InChIInChI=1S/C23H30N2O4/c1-28-16-14-25(23(27)20-9-5-10-20)18-22(26)24(17-21-11-6-15-29-21)13-12-19-7-3-2-4-8-19/h2-4,6-8,11,15,20H,5,9-10,12-14,16-18H2,1H3
InChIKeyMMXQUQADTJQZTO-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.13
Rot. Bonds11

About N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide

N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide (PubChem CID 3924733) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
PubChem CID3924733
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide
SMILESCOCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)C1CCC1
InChIInChI=1S/C23H30N2O4/c1-28-16-14-25(23(27)20-9-5-10-20)18-22(26)24(17-21-11-6-15-29-21)13-12-19-7-3-2-4-8-19/h2-4,6-8,11,15,20H,5,9-10,12-14,16-18H2,1H3
InChIKeyMMXQUQADTJQZTO-UHFFFAOYSA-N
XLogP3.13
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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]-N-propan-2-ylcyclohexanecarboxamide
CID 3597779
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-4-methylbenzamide
CID 3911576
2-[tert-butylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 4312490
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-3-methoxy-N-(2-methoxyethyl)benzamide
CID 3880585
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 4079510
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
2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 4659721
N-benzyl-2-[dimethylcarbamoyl(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 42773023
N-(furan-2-ylmethyl)-2-(2-methoxyethylamino)-N-(2-phenylethyl)acetamide
CID 24715047

Frequently Asked Questions

What is the IUPAC name of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide?
The IUPAC name of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide (CID 3924733) is N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide?
The canonical SMILES for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide is COCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)C1CCC1.
What is the InChIKey of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide?
The InChIKey is MMXQUQADTJQZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-28-16-14-25(23(27)20-9-5-10-20)18-22(26)24(17-21-11-6-15-29-21)13-12-19-7-3-2-4-8-19/h2-4,6-8,11,15,20H,5,9-10,12-14,16-18H2,1H3.
What are the key properties of N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide?
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide has a molecular weight of 398.50 g/mol, XLogP of 3.13, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)cyclobutanecarboxamide is sourced from PubChem (CID 3924733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).