N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methoxybenzamide

C25H26N2O4 — CID 1058317

IUPACN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccco1)C1CC1
InChIInChI=1S/C25H26N2O4/c1-30-23-12-6-5-11-22(23)25(29)27(20-13-14-20)18-24(28)26(17-21-10-7-15-31-21)16-19-8-3-2-4-9-19/h2-12,15,20H,13-14,16-18H2,1H3
InChIKeyMDYRNZDJPVSZFX-UHFFFAOYSA-N
MW418.49 g/mol
LogP4.12
Rot. Bonds9

About N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methoxybenzamide

N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methoxybenzamide (PubChem CID 1058317) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methoxybenzamide
PubChem CID1058317
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccco1)C1CC1
InChIInChI=1S/C25H26N2O4/c1-30-23-12-6-5-11-22(23)25(29)27(20-13-14-20)18-24(28)26(17-21-10-7-15-31-21)16-19-8-3-2-4-9-19/h2-12,15,20H,13-14,16-18H2,1H3
InChIKeyMDYRNZDJPVSZFX-UHFFFAOYSA-N
XLogP4.12
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[acetyl(cyclopropyl)amino]-N-benzyl-N-(furan-2-ylmethyl)acetamide
CID 4281415
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylcyclopropanecarboxamide
CID 1058293
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide
CID 3988895
N-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 1058435
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-3-methylbutanamide
CID 4588626
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylpentanamide
CID 3955195
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2,6-dimethoxy-N-propan-2-ylbenzamide
CID 4574120
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]pyridine-4-carboxamide
CID 3254720
N-benzyl-2-[cyclopropyl(methylsulfonyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 42773220
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclohexyl-3-methylbenzamide
CID 5013111
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyladamantane-1-carboxamide
CID 3644401
N-[(2R)-butan-2-yl]-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-2-methoxybenzamide
CID 93109724

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methoxybenzamide?
The IUPAC name of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methoxybenzamide (CID 1058317) is N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methoxybenzamide.
What is the SMILES notation for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methoxybenzamide?
The canonical SMILES for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methoxybenzamide is COc1ccccc1C(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccco1)C1CC1.
What is the InChIKey of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methoxybenzamide?
The InChIKey is MDYRNZDJPVSZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-30-23-12-6-5-11-22(23)25(29)27(20-13-14-20)18-24(28)26(17-21-10-7-15-31-21)16-19-8-3-2-4-9-19/h2-12,15,20H,13-14,16-18H2,1H3.
What are the key properties of N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methoxybenzamide?
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methoxybenzamide has a molecular weight of 418.49 g/mol, XLogP of 4.12, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methoxybenzamide is sourced from PubChem (CID 1058317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).