N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-N-propyl-2-[4-(tetrazol-1-yl)phenyl]acetamide

C23H33N5O2 — CID 97027734

IUPACN-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-N-propyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCCCN(C(=O)Cc1ccc(-n2cnnn2)cc1)[C@H]1C[C@H](OCC)C12CCCCC2
InChIInChI=1S/C23H33N5O2/c1-3-14-27(20-16-21(30-4-2)23(20)12-6-5-7-13-23)22(29)15-18-8-10-19(11-9-18)28-17-24-25-26-28/h8-11,17,20-21H,3-7,12-16H2,1-2H3/t20-,21-/m0/s1
InChIKeyQRZGLWHVFPGDMX-SFTDATJTSA-N
MW411.55 g/mol
LogP3.57
Rot. Bonds8

About N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-N-propyl-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-N-propyl-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 97027734) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-N-propyl-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-N-propyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID97027734
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC NameN-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-N-propyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCCCN(C(=O)Cc1ccc(-n2cnnn2)cc1)[C@H]1C[C@H](OCC)C12CCCCC2
InChIInChI=1S/C23H33N5O2/c1-3-14-27(20-16-21(30-4-2)23(20)12-6-5-7-13-23)22(29)15-18-8-10-19(11-9-18)28-17-24-25-26-28/h8-11,17,20-21H,3-7,12-16H2,1-2H3/t20-,21-/m0/s1
InChIKeyQRZGLWHVFPGDMX-SFTDATJTSA-N
XLogP3.57
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119532441
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-(5-nitro-2-oxo-1-pyridinyl)-N-propylacetamide
CID 71873995
N-cyclopentyl-N-phenyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 75462753
4-(aminomethyl)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylbenzamide
CID 124683871
N-(2-hydroxy-2-methylpropyl)-N-propan-2-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 71847721
2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid
CID 119198737
1-(4-propylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 39734467
N-(azepan-4-yl)-N-(pyridin-2-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 126768569
1-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 128984890
N-(3-ethoxyspiro[3.3]heptan-1-yl)-4-(1,2,4-triazol-1-yl)benzamide
CID 71929756
6-(dimethylamino)-N-[(1R,3S)-3-ethoxyspiro[3.4]octan-1-yl]-N-methylpyridazine-3-carboxamide
CID 97317791
(1S,3S)-3-ethoxy-1-[methyl(sulfamoyl)amino]spiro[3.5]nonane
CID 99774644

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-N-propyl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-N-propyl-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 97027734) is N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-N-propyl-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-N-propyl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-N-propyl-2-[4-(tetrazol-1-yl)phenyl]acetamide is CCCN(C(=O)Cc1ccc(-n2cnnn2)cc1)[C@H]1C[C@H](OCC)C12CCCCC2.
What is the InChIKey of N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-N-propyl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is QRZGLWHVFPGDMX-SFTDATJTSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-3-14-27(20-16-21(30-4-2)23(20)12-6-5-7-13-23)22(29)15-18-8-10-19(11-9-18)28-17-24-25-26-28/h8-11,17,20-21H,3-7,12-16H2,1-2H3/t20-,21-/m0/s1.
What are the key properties of N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-N-propyl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-N-propyl-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 411.55 g/mol, XLogP of 3.57, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-ethoxyspiro[3.5]nonan-1-yl]-N-propyl-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 97027734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).