N-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide

C20H21N5O2 — CID 167886841

IUPACN-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(OCc2nnnn2C2CCC2)c1
InChIInChI=1S/C20H21N5O2/c26-20(21-13-15-6-2-1-3-7-15)16-8-4-11-18(12-16)27-14-19-22-23-24-25(19)17-9-5-10-17/h1-4,6-8,11-12,17H,5,9-10,13-14H2,(H,21,26)
InChIKeyUBKHJKWBODTLLB-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.91
Rot. Bonds7

About N-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide

N-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide (PubChem CID 167886841) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide
PubChem CID167886841
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide
SMILESO=C(NCc1ccccc1)c1cccc(OCc2nnnn2C2CCC2)c1
InChIInChI=1S/C20H21N5O2/c26-20(21-13-15-6-2-1-3-7-15)16-8-4-11-18(12-16)27-14-19-22-23-24-25(19)17-9-5-10-17/h1-4,6-8,11-12,17H,5,9-10,13-14H2,(H,21,26)
InChIKeyUBKHJKWBODTLLB-UHFFFAOYSA-N
XLogP2.91
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295389
3-[(1-methyltetrazol-5-yl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 71830494
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-phenylbenzamide
CID 30295477
N-[(1-cyclopentyltetrazol-5-yl)methyl]-3,4-diethoxybenzamide
CID 30295362
N-[(1-cyclopentyltetrazol-5-yl)methyl]-4-ethoxybenzamide
CID 30295335
N-[(1-cyclopropyltetrazol-5-yl)methyl]-3-(dimethylamino)benzamide
CID 71989611
N-benzyl-3-[(4-cyanophenyl)methoxy]benzamide
CID 7492266
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
4-chloro-N-[(1-cyclopentyltetrazol-5-yl)methyl]benzamide
CID 30295393
N-[(1-cyclohexyltetrazol-5-yl)methyl]-2-naphthalen-1-ylacetamide
CID 30295231
4-[(1-cyclopropyltetrazol-5-yl)methoxy]-2-methylbenzoic acid
CID 107671184
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-phenylmethoxybenzamide
CID 55637639

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide?
The IUPAC name of N-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide (CID 167886841) is N-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide.
What is the SMILES notation for N-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide?
The canonical SMILES for N-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide is O=C(NCc1ccccc1)c1cccc(OCc2nnnn2C2CCC2)c1.
What is the InChIKey of N-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide?
The InChIKey is UBKHJKWBODTLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-20(21-13-15-6-2-1-3-7-15)16-8-4-11-18(12-16)27-14-19-22-23-24-25(19)17-9-5-10-17/h1-4,6-8,11-12,17H,5,9-10,13-14H2,(H,21,26).
What are the key properties of N-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide?
N-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide has a molecular weight of 363.42 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[(1-cyclobutyltetrazol-5-yl)methoxy]benzamide is sourced from PubChem (CID 167886841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).