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

C20H37N7O2 — CID 45215543

IUPACN-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
SMILESCC(C)CN1CCC(CN(C)C(=O)CCCn2nnnc2CN2CCOCC2)C1
InChIInChI=1S/C20H37N7O2/c1-17(2)13-26-8-6-18(15-26)14-24(3)20(28)5-4-7-27-19(21-22-23-27)16-25-9-11-29-12-10-25/h17-18H,4-16H2,1-3H3
InChIKeyMSQLNIMXDLLTDB-UHFFFAOYSA-N
MW407.56 g/mol
LogP0.72
Rot. Bonds10

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

N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide (PubChem CID 45215543) has the molecular formula C20H37N7O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide.

Molecular Properties

Compound NameN-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
PubChem CID45215543
Molecular FormulaC20H37N7O2
Molecular Weight407.56 g/mol
Exact Mass407.30
IUPAC NameN-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide
SMILESCC(C)CN1CCC(CN(C)C(=O)CCCn2nnnc2CN2CCOCC2)C1
InChIInChI=1S/C20H37N7O2/c1-17(2)13-26-8-6-18(15-26)14-24(3)20(28)5-4-7-27-19(21-22-23-27)16-25-9-11-29-12-10-25/h17-18H,4-16H2,1-3H3
InChIKeyMSQLNIMXDLLTDB-UHFFFAOYSA-N
XLogP0.72
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide?
The IUPAC name of N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide (CID 45215543) is N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide.
What is the SMILES notation for N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide?
The canonical SMILES for N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide is CC(C)CN1CCC(CN(C)C(=O)CCCn2nnnc2CN2CCOCC2)C1.
What is the InChIKey of N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide?
The InChIKey is MSQLNIMXDLLTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N7O2/c1-17(2)13-26-8-6-18(15-26)14-24(3)20(28)5-4-7-27-19(21-22-23-27)16-25-9-11-29-12-10-25/h17-18H,4-16H2,1-3H3.
What are the key properties of N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide?
N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide has a molecular weight of 407.56 g/mol, XLogP of 0.72, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butanamide is sourced from PubChem (CID 45215543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).