N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide

C24H34N2O3 — CID 3547024

IUPACN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide
SMILESCC(C)CN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)CC(C)(C)C
InChIInChI=1S/C24H34N2O3/c1-19(2)15-25(22(27)14-24(3,4)5)18-23(28)26(17-21-12-9-13-29-21)16-20-10-7-6-8-11-20/h6-13,19H,14-18H2,1-5H3
InChIKeyKNOPZMMPSQWQDS-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.73
Rot. Bonds9

About N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide (PubChem CID 3547024) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide
PubChem CID3547024
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide
SMILESCC(C)CN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)CC(C)(C)C
InChIInChI=1S/C24H34N2O3/c1-19(2)15-25(22(27)14-24(3,4)5)18-23(28)26(17-21-12-9-13-29-21)16-20-10-7-6-8-11-20/h6-13,19H,14-18H2,1-5H3
InChIKeyKNOPZMMPSQWQDS-UHFFFAOYSA-N
XLogP4.73
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 4161219
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)-3-phenylprop-2-enamide
CID 4058706
N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 3665303
4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 4030396
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide
CID 4588626
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide
CID 3358499
N-benzyl-2-[(2,5-dichlorophenyl)sulfonyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 3572091
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide
CID 3988895
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)benzamide
CID 42773009
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 3596156
2-[(3-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 3577808
2-[acetyl(cyclopropyl)amino]-N-benzyl-N-(furan-2-ylmethyl)acetamide
CID 4281415

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide?
The IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide (CID 3547024) is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide.
What is the SMILES notation for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide?
The canonical SMILES for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide is CC(C)CN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)CC(C)(C)C.
What is the InChIKey of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide?
The InChIKey is KNOPZMMPSQWQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-19(2)15-25(22(27)14-24(3,4)5)18-23(28)26(17-21-12-9-13-29-21)16-20-10-7-6-8-11-20/h6-13,19H,14-18H2,1-5H3.
What are the key properties of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide?
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide has a molecular weight of 398.55 g/mol, XLogP of 4.73, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 3547024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).