3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide

C28H30N6O3 — CID 45206144

IUPAC3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide
SMILESCc1ccccc1-n1nnnc1C(c1ccccc1)N(C)C(=O)CCC1(Cc2ccco2)CCC(=O)N1
InChIInChI=1S/C28H30N6O3/c1-20-9-6-7-13-23(20)34-27(30-31-32-34)26(21-10-4-3-5-11-21)33(2)25(36)15-17-28(16-14-24(35)29-28)19-22-12-8-18-37-22/h3-13,18,26H,14-17,19H2,1-2H3,(H,29,35)
InChIKeyQRWGYXKUUHBNET-UHFFFAOYSA-N
MW498.59 g/mol
LogP3.78
Rot. Bonds9

About 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide

3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide (PubChem CID 45206144) has the molecular formula C28H30N6O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide.

Molecular Properties

Compound Name3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide
PubChem CID45206144
Molecular FormulaC28H30N6O3
Molecular Weight498.59 g/mol
Exact Mass498.24
IUPAC Name3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide
SMILESCc1ccccc1-n1nnnc1C(c1ccccc1)N(C)C(=O)CCC1(Cc2ccco2)CCC(=O)N1
InChIInChI=1S/C28H30N6O3/c1-20-9-6-7-13-23(20)34-27(30-31-32-34)26(21-10-4-3-5-11-21)33(2)25(36)15-17-28(16-14-24(35)29-28)19-22-12-8-18-37-22/h3-13,18,26H,14-17,19H2,1-2H3,(H,29,35)
InChIKeyQRWGYXKUUHBNET-UHFFFAOYSA-N
XLogP3.78
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2R)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(R)-[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide
CID 42482787
2-(dimethylamino)-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]acetamide
CID 46996075
N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]-1H-pyrazole-5-carboxamide
CID 46999614
(1R)-N-(furan-2-ylmethyl)-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 7767880
3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[(3-propyl-1H-pyrazol-5-yl)methyl]propanamide
CID 45242132
5-(furan-2-ylmethyl)-5-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]pyrrolidin-2-one
CID 45179438
methyl 1-[3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoyl]piperidine-2-carboxylate
CID 126463204
(1S)-N-[(4-fluorophenyl)methyl]-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenylmethanamine
CID 7463822
N-[2-[(4R)-2,2-dimethyl-4-phenyloxan-4-yl]ethyl]-3-[(2S)-2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
CID 26346628
(1R)-N-methyl-1-[1-(2-methylphenyl)tetrazol-5-yl]-1-phenyl-N-(thiophen-2-ylmethyl)methanamine
CID 7463843
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-N-methyl-3-[5-oxo-2-(thiophen-2-ylmethyl)pyrrolidin-2-yl]propanamide
CID 126465587
3-[2-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-(furan-2-ylmethyl)-N-prop-2-ynylpropanamide
CID 45227113

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide?
The IUPAC name of 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide (CID 45206144) is 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide.
What is the SMILES notation for 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide?
The canonical SMILES for 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide is Cc1ccccc1-n1nnnc1C(c1ccccc1)N(C)C(=O)CCC1(Cc2ccco2)CCC(=O)N1.
What is the InChIKey of 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide?
The InChIKey is QRWGYXKUUHBNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3/c1-20-9-6-7-13-23(20)34-27(30-31-32-34)26(21-10-4-3-5-11-21)33(2)25(36)15-17-28(16-14-24(35)29-28)19-22-12-8-18-37-22/h3-13,18,26H,14-17,19H2,1-2H3,(H,29,35).
What are the key properties of 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide?
3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide has a molecular weight of 498.59 g/mol, XLogP of 3.78, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]-N-methyl-N-[[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]propanamide is sourced from PubChem (CID 45206144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).