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

C17H31N7O2 — CID 45215928

IUPACN-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
SMILESCC(C)N1CCC(CN(C)C(=O)Cn2nnnc2CN2CCOCC2)C1
InChIInChI=1S/C17H31N7O2/c1-14(2)23-5-4-15(11-23)10-21(3)17(25)13-24-16(18-19-20-24)12-22-6-8-26-9-7-22/h14-15H,4-13H2,1-3H3
InChIKeyRMWWWGRQYPFDAJ-UHFFFAOYSA-N
MW365.48 g/mol
LogP-0.31
Rot. Bonds7

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

N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide (PubChem CID 45215928) has the molecular formula C17H31N7O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
PubChem CID45215928
Molecular FormulaC17H31N7O2
Molecular Weight365.48 g/mol
Exact Mass365.25
IUPAC NameN-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
SMILESCC(C)N1CCC(CN(C)C(=O)Cn2nnnc2CN2CCOCC2)C1
InChIInChI=1S/C17H31N7O2/c1-14(2)23-5-4-15(11-23)10-21(3)17(25)13-24-16(18-19-20-24)12-22-6-8-26-9-7-22/h14-15H,4-13H2,1-3H3
InChIKeyRMWWWGRQYPFDAJ-UHFFFAOYSA-N
XLogP-0.31
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide (CID 45215928) is N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide is CC(C)N1CCC(CN(C)C(=O)Cn2nnnc2CN2CCOCC2)C1.
What is the InChIKey of N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide?
The InChIKey is RMWWWGRQYPFDAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N7O2/c1-14(2)23-5-4-15(11-23)10-21(3)17(25)13-24-16(18-19-20-24)12-22-6-8-26-9-7-22/h14-15H,4-13H2,1-3H3.
What are the key properties of N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide?
N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide has a molecular weight of 365.48 g/mol, XLogP of -0.31, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 45215928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).