N-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide

C25H29N3O4 — CID 4189347

IUPACN-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide
SMILESCOc1cccc(NC(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccco2)C(C)C)c1
InChIInChI=1S/C25H29N3O4/c1-19(2)28(25(30)26-21-11-7-12-22(15-21)31-3)18-24(29)27(17-23-13-8-14-32-23)16-20-9-5-4-6-10-20/h4-15,19H,16-18H2,1-3H3,(H,26,30)
InChIKeyULPIRATUBRPCES-UHFFFAOYSA-N
MW435.52 g/mol
LogP4.76
Rot. Bonds9

About N-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide

N-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide (PubChem CID 4189347) has the molecular formula C25H29N3O4 and a molecular weight of 435.52 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide
PubChem CID4189347
Molecular FormulaC25H29N3O4
Molecular Weight435.52 g/mol
Exact Mass435.22
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide
SMILESCOc1cccc(NC(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccco2)C(C)C)c1
InChIInChI=1S/C25H29N3O4/c1-19(2)28(25(30)26-21-11-7-12-22(15-21)31-3)18-24(29)27(17-23-13-8-14-32-23)16-20-9-5-4-6-10-20/h4-15,19H,16-18H2,1-3H3,(H,26,30)
InChIKeyULPIRATUBRPCES-UHFFFAOYSA-N
XLogP4.76
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4188769
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 3355018
N-benzyl-2-[cyclopropyl-[(3-methoxyphenyl)carbamoyl]amino]-N-(furan-2-ylmethyl)acetamide
CID 1058435
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-2,6-dimethoxy-N-propan-2-ylbenzamide
CID 4574120
N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 4149991
2-[(2,6-dimethylphenyl)carbamoyl-propan-2-ylamino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4278791
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)carbamoyl-propan-2-ylamino]-N-(furan-2-ylmethyl)acetamide
CID 3247733
ethyl 4-[[[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-propan-2-ylcarbamoyl]amino]benzoate
CID 42773525
2-[(2,4-difluorophenyl)carbamoyl-propan-2-ylamino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 3586658
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-butyl-N-propan-2-ylbenzamide
CID 3690061
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-2-[propan-2-yl-[[3-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 4077906
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-tert-butyl-3-methoxybenzamide
CID 3978223

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide (CID 4189347) is N-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide is COc1cccc(NC(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccco2)C(C)C)c1.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide?
The InChIKey is ULPIRATUBRPCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4/c1-19(2)28(25(30)26-21-11-7-12-22(15-21)31-3)18-24(29)27(17-23-13-8-14-32-23)16-20-9-5-4-6-10-20/h4-15,19H,16-18H2,1-3H3,(H,26,30).
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide?
N-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide has a molecular weight of 435.52 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 4189347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).