2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide

C25H27N3O4 — CID 112804522

IUPAC2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCOc1ccc(C(NCC(=O)Nc2ccccc2C(=O)NCc2ccco2)C2CC2)cc1
InChIInChI=1S/C25H27N3O4/c1-31-19-12-10-18(11-13-19)24(17-8-9-17)26-16-23(29)28-22-7-3-2-6-21(22)25(30)27-15-20-5-4-14-32-20/h2-7,10-14,17,24,26H,8-9,15-16H2,1H3,(H,27,30)(H,28,29)
InChIKeyMRCAYNDXVUVCCS-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.90
Rot. Bonds10

About 2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide

2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 112804522) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID112804522
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESCOc1ccc(C(NCC(=O)Nc2ccccc2C(=O)NCc2ccco2)C2CC2)cc1
InChIInChI=1S/C25H27N3O4/c1-31-19-12-10-18(11-13-19)24(17-8-9-17)26-16-23(29)28-22-7-3-2-6-21(22)25(30)27-15-20-5-4-14-32-20/h2-7,10-14,17,24,26H,8-9,15-16H2,1H3,(H,27,30)(H,28,29)
InChIKeyMRCAYNDXVUVCCS-UHFFFAOYSA-N
XLogP3.90
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 112808084
N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)propanoylamino]benzamide
CID 51188549
N-(furan-2-ylmethyl)-2-[[2-(3-methoxyphenoxy)acetyl]amino]benzamide
CID 94878119
N-(furan-2-ylmethyl)-2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
CID 55467124
2-[[2-[4-[(2R)-butan-2-yl]phenoxy]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 9319749
N-(furan-2-ylmethyl)-2-[[2-[[2-(methylamino)-2-oxoethyl]amino]acetyl]amino]benzamide
CID 8772778
2-methoxyethyl 4-[2-(furan-2-ylmethylcarbamoyl)anilino]-4-oxobutanoate
CID 17339123
2-[[2-(4-ethoxyphenoxy)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 34648175
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
2-[[2-[(2,3-dimethylcyclohexyl)amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 112796590
2-(3-cyclopentylpropanoylamino)-N-(furan-2-ylmethyl)benzamide
CID 16576953

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 112804522) is 2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide is COc1ccc(C(NCC(=O)Nc2ccccc2C(=O)NCc2ccco2)C2CC2)cc1.
What is the InChIKey of 2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is MRCAYNDXVUVCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-31-19-12-10-18(11-13-19)24(17-8-9-17)26-16-23(29)28-22-7-3-2-6-21(22)25(30)27-15-20-5-4-14-32-20/h2-7,10-14,17,24,26H,8-9,15-16H2,1H3,(H,27,30)(H,28,29).
What are the key properties of 2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide?
2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 433.51 g/mol, XLogP of 3.90, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 112804522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).