N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

C15H29N7O — CID 45210458

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCCN1CCCC1CNC(=O)Cn1nnnc1CN(C)C(C)C
InChIInChI=1S/C15H29N7O/c1-5-21-8-6-7-13(21)9-16-15(23)11-22-14(17-18-19-22)10-20(4)12(2)3/h12-13H,5-11H2,1-4H3,(H,16,23)
InChIKeyGXUJNDIBUPQDQD-UHFFFAOYSA-N
MW323.45 g/mol
LogP0.11
Rot. Bonds8

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (PubChem CID 45210458) has the molecular formula C15H29N7O and a molecular weight of 323.45 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
PubChem CID45210458
Molecular FormulaC15H29N7O
Molecular Weight323.45 g/mol
Exact Mass323.24
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide
SMILESCCN1CCCC1CNC(=O)Cn1nnnc1CN(C)C(C)C
InChIInChI=1S/C15H29N7O/c1-5-21-8-6-7-13(21)9-16-15(23)11-22-14(17-18-19-22)10-20(4)12(2)3/h12-13H,5-11H2,1-4H3,(H,16,23)
InChIKeyGXUJNDIBUPQDQD-UHFFFAOYSA-N
XLogP0.11
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.45
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide (CID 45210458) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is CCN1CCCC1CNC(=O)Cn1nnnc1CN(C)C(C)C.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
The InChIKey is GXUJNDIBUPQDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N7O/c1-5-21-8-6-7-13(21)9-16-15(23)11-22-14(17-18-19-22)10-20(4)12(2)3/h12-13H,5-11H2,1-4H3,(H,16,23).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide has a molecular weight of 323.45 g/mol, XLogP of 0.11, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 45210458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).