N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide

C20H29N7O2 — CID 72844031

IUPACN-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
SMILESCc1ccccc1N1CCC(CNC(=O)Cn2nnnc2CN2CCOCC2)C1
InChIInChI=1S/C20H29N7O2/c1-16-4-2-3-5-18(16)26-7-6-17(13-26)12-21-20(28)15-27-19(22-23-24-27)14-25-8-10-29-11-9-25/h2-5,17H,6-15H2,1H3,(H,21,28)
InChIKeyPSSGKQWAPZOHPT-UHFFFAOYSA-N
MW399.50 g/mol
LogP0.46
Rot. Bonds7

About N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide

N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide (PubChem CID 72844031) has the molecular formula C20H29N7O2 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
PubChem CID72844031
Molecular FormulaC20H29N7O2
Molecular Weight399.50 g/mol
Exact Mass399.24
IUPAC NameN-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
SMILESCc1ccccc1N1CCC(CNC(=O)Cn2nnnc2CN2CCOCC2)C1
InChIInChI=1S/C20H29N7O2/c1-16-4-2-3-5-18(16)26-7-6-17(13-26)12-21-20(28)15-27-19(22-23-24-27)14-25-8-10-29-11-9-25/h2-5,17H,6-15H2,1H3,(H,21,28)
InChIKeyPSSGKQWAPZOHPT-UHFFFAOYSA-N
XLogP0.46
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-morpholin-4-ylbenzamide
CID 131890040
N-(1-benzylpiperidin-3-yl)-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide
CID 45174100
4-(hydroxymethyl)-5-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 118778689
N-[[(3S)-1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 97133567
6-methyl-N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 91777956
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 55652171
2-(2,4-dimethoxyphenyl)-N-[[(3S)-1-(2-methylphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 125174267
N-[(2,6-difluoro-3-methylphenyl)methyl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanamide
CID 29258075
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 118770949
1-[1-[(1-benzyltetrazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63264199
2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]-N-[[(3S)-1-(2-phenylethyl)piperidin-3-yl]methyl]acetamide
CID 25385090
N-[[1-(2-fluorophenyl)pyrrolidin-3-yl]methyl]-3-hydroxypropanamide
CID 91790346

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide?
The IUPAC name of N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide (CID 72844031) is N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide?
The canonical SMILES for N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide is Cc1ccccc1N1CCC(CNC(=O)Cn2nnnc2CN2CCOCC2)C1.
What is the InChIKey of N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide?
The InChIKey is PSSGKQWAPZOHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O2/c1-16-4-2-3-5-18(16)26-7-6-17(13-26)12-21-20(28)15-27-19(22-23-24-27)14-25-8-10-29-11-9-25/h2-5,17H,6-15H2,1H3,(H,21,28).
What are the key properties of N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide?
N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide has a molecular weight of 399.50 g/mol, XLogP of 0.46, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylphenyl)pyrrolidin-3-yl]methyl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]acetamide is sourced from PubChem (CID 72844031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).