N-(3-methoxypropyl)-2-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide

C15H22N6O2 — CID 51261369

IUPACN-(3-methoxypropyl)-2-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide
SMILESCOCCCNC(=O)CN(C)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C15H22N6O2/c1-20(12-15(22)16-9-6-10-23-2)11-14-17-18-19-21(14)13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,16,22)
InChIKeyHFJFPPGPFHNQRK-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.25
Rot. Bonds9

About N-(3-methoxypropyl)-2-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide

N-(3-methoxypropyl)-2-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide (PubChem CID 51261369) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide
PubChem CID51261369
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC NameN-(3-methoxypropyl)-2-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide
SMILESCOCCCNC(=O)CN(C)Cc1nnnn1-c1ccccc1
InChIInChI=1S/C15H22N6O2/c1-20(12-15(22)16-9-6-10-23-2)11-14-17-18-19-21(14)13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,16,22)
InChIKeyHFJFPPGPFHNQRK-UHFFFAOYSA-N
XLogP0.25
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]butan-2-ol
CID 115665700
2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 47006314
2-[methyl-(1-phenyltetrazol-5-yl)amino]-N-propylacetamide
CID 9195767
N-(2-methoxyethyl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 51217100
1-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]propan-2-ol
CID 55061276
N-(3-methoxypropyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 51183315
2-[tert-butyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetic acid
CID 79263009
2-[benzyl(ethyl)amino]-N-(3-methoxypropyl)acetamide
CID 78787360
N,N-dibenzyl-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
CID 71063959
N-[3-(1-phenylethoxy)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55556542
2-[[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 55445553
2-(4-bromophenoxy)-N-methyl-N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 18087749

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide (CID 51261369) is N-(3-methoxypropyl)-2-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide is COCCCNC(=O)CN(C)Cc1nnnn1-c1ccccc1.
What is the InChIKey of N-(3-methoxypropyl)-2-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide?
The InChIKey is HFJFPPGPFHNQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-20(12-15(22)16-9-6-10-23-2)11-14-17-18-19-21(14)13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,16,22).
What are the key properties of N-(3-methoxypropyl)-2-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide?
N-(3-methoxypropyl)-2-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide has a molecular weight of 318.38 g/mol, XLogP of 0.25, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[methyl-[(1-phenyltetrazol-5-yl)methyl]amino]acetamide is sourced from PubChem (CID 51261369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).