N-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide

C25H27N3O4 — CID 1058435

IUPACN-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1cccc(NC(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccco2)C2CC2)c1
InChIInChI=1S/C25H27N3O4/c1-31-22-10-5-9-20(15-22)26-25(30)28(21-12-13-21)18-24(29)27(17-23-11-6-14-32-23)16-19-7-3-2-4-8-19/h2-11,14-15,21H,12-13,16-18H2,1H3,(H,26,30)
InChIKeyOJIFGTNSEVVHGP-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.51
Rot. Bonds9

About N-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide

N-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide (PubChem CID 1058435) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide
PubChem CID1058435
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide
SMILESCOc1cccc(NC(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccco2)C2CC2)c1
InChIInChI=1S/C25H27N3O4/c1-31-22-10-5-9-20(15-22)26-25(30)28(21-12-13-21)18-24(29)27(17-23-11-6-14-32-23)16-19-7-3-2-4-8-19/h2-11,14-15,21H,12-13,16-18H2,1H3,(H,26,30)
InChIKeyOJIFGTNSEVVHGP-UHFFFAOYSA-N
XLogP4.51
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 4189347
N-benzyl-2-[(3-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]-N-(furan-2-ylmethyl)acetamide
CID 1058441
2-[acetyl(cyclopropyl)amino]-N-benzyl-N-(furan-2-ylmethyl)acetamide
CID 4281415
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methoxybenzamide
CID 1058317
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-cyclopropylcyclopropanecarboxamide
CID 1058293
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropylpentanamide
CID 3955195
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide
CID 3988895
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 3355018
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-3-methoxybenzamide
CID 3978223
2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 1031230
N-benzyl-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4188769

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide (CID 1058435) is N-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide is COc1cccc(NC(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccco2)C2CC2)c1.
What is the InChIKey of N-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is OJIFGTNSEVVHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-31-22-10-5-9-20(15-22)26-25(30)28(21-12-13-21)18-24(29)27(17-23-11-6-14-32-23)16-19-7-3-2-4-8-19/h2-11,14-15,21H,12-13,16-18H2,1H3,(H,26,30).
What are the key properties of N-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide?
N-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 433.51 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 1058435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).