N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide

C26H31N3O4 — CID 47012190

IUPACN-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide
SMILESCOc1ccc(C(NCC(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)C(C)C)cc1
InChIInChI=1S/C26H31N3O4/c1-19(2)26(20-11-13-22(32-3)14-12-20)27-16-25(31)29(17-23-10-7-15-33-23)18-24(30)28-21-8-5-4-6-9-21/h4-15,19,26-27H,16-18H2,1-3H3,(H,28,30)
InChIKeyNQZKFPQZOFVRRU-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.24
Rot. Bonds11

About N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide

N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide (PubChem CID 47012190) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide
PubChem CID47012190
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide
SMILESCOc1ccc(C(NCC(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)C(C)C)cc1
InChIInChI=1S/C26H31N3O4/c1-19(2)26(20-11-13-22(32-3)14-12-20)27-16-25(31)29(17-23-10-7-15-33-23)18-24(30)28-21-8-5-4-6-9-21/h4-15,19,26-27H,16-18H2,1-3H3,(H,28,30)
InChIKeyNQZKFPQZOFVRRU-UHFFFAOYSA-N
XLogP4.24
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-3-phenylpropanamide
CID 4064620
2-[[2-[furan-2-ylmethyl-(2-phenylmethoxyacetyl)amino]acetyl]amino]-N-(4-methoxyphenyl)acetamide
CID 5067624
2-[[2-(4-bromophenoxy)acetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 26999891
2-[[2-(4-acetamidophenyl)sulfanylacetyl]-(furan-2-ylmethyl)amino]-N-phenylacetamide
CID 24518090
N-(3-methoxyphenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131545
(E)-N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 46638145
4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9333882
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81368463
N-[2-[furan-2-ylmethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 9438050
2-[benzyl(furan-2-ylmethyl)amino]-N-(3,5-dimethoxyphenyl)acetamide
CID 55354188
2-[furan-2-ylmethyl-[2-[methyl-[(1R)-1-(3-nitrophenyl)ethyl]amino]acetyl]amino]-N-phenylacetamide
CID 51556441
N-benzyl-N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 4189347

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide (CID 47012190) is N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide is COc1ccc(C(NCC(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)C(C)C)cc1.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide?
The InChIKey is NQZKFPQZOFVRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-19(2)26(20-11-13-22(32-3)14-12-20)27-16-25(31)29(17-23-10-7-15-33-23)18-24(30)28-21-8-5-4-6-9-21/h4-15,19,26-27H,16-18H2,1-3H3,(H,28,30).
What are the key properties of N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide?
N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide has a molecular weight of 449.55 g/mol, XLogP of 4.24, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-N-(furan-2-ylmethyl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetamide is sourced from PubChem (CID 47012190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).