2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

C23H31N3O3 — CID 87017996

IUPAC2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CN(Cc2ccco2)C2CCCC2)c(C)c1
InChIInChI=1S/C23H31N3O3/c1-16-11-17(2)23(18(3)12-16)25-21(27)13-24-22(28)15-26(19-7-4-5-8-19)14-20-9-6-10-29-20/h6,9-12,19H,4-5,7-8,13-15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyVFCNVGMCTCHSEM-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.70
Rot. Bonds8

About 2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 87017996) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID87017996
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CN(Cc2ccco2)C2CCCC2)c(C)c1
InChIInChI=1S/C23H31N3O3/c1-16-11-17(2)23(18(3)12-16)25-21(27)13-24-22(28)15-26(19-7-4-5-8-19)14-20-9-6-10-29-20/h6,9-12,19H,4-5,7-8,13-15H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyVFCNVGMCTCHSEM-UHFFFAOYSA-N
XLogP3.70
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 55837704
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(4-fluoro-3-methylphenyl)methyl]acetamide
CID 34218990
N-(3-chloro-4-methylphenyl)-2-[cyclopropyl(furan-2-ylmethyl)amino]acetamide
CID 34217695
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-(2-methyl-6-nitrophenyl)acetamide
CID 47077887
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[(3,4-dimethylphenyl)carbamoyl]acetamide
CID 34218671
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[cyclopentyl(furan-2-ylmethyl)amino]acetamide
CID 94417458
2-[cyclopropyl(furan-2-ylmethyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 30825293
2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16577746
2-[cyclohexyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 4818302
2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
CID 55837830
N-(furan-2-ylmethyl)-N-[2-[[2-(3-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 3686733
3-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-cyclopropylbenzamide
CID 47056867

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 87017996) is 2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CNC(=O)CN(Cc2ccco2)C2CCCC2)c(C)c1.
What is the InChIKey of 2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is VFCNVGMCTCHSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-16-11-17(2)23(18(3)12-16)25-21(27)13-24-22(28)15-26(19-7-4-5-8-19)14-20-9-6-10-29-20/h6,9-12,19H,4-5,7-8,13-15H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 397.52 g/mol, XLogP of 3.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclopentyl(furan-2-ylmethyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 87017996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).