N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide

C23H21N5O3 — CID 32651524

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(CNC(=O)c2ccc(-n3cnnn3)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C23H21N5O3/c1-30-22-13-18(7-12-21(22)31-15-17-5-3-2-4-6-17)14-24-23(29)19-8-10-20(11-9-19)28-16-25-26-27-28/h2-13,16H,14-15H2,1H3,(H,24,29)
InChIKeyDUAWXYLQJGUWBF-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.18
Rot. Bonds8

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 32651524) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide
PubChem CID32651524
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide
SMILESCOc1cc(CNC(=O)c2ccc(-n3cnnn3)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C23H21N5O3/c1-30-22-13-18(7-12-21(22)31-15-17-5-3-2-4-6-17)14-24-23(29)19-8-10-20(11-9-19)28-16-25-26-27-28/h2-13,16H,14-15H2,1H3,(H,24,29)
InChIKeyDUAWXYLQJGUWBF-UHFFFAOYSA-N
XLogP3.18
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-fluoro-4-methoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 8756994
N-[(3,4-dimethoxyphenyl)methyl]-4-(phenoxymethyl)benzamide
CID 112789277
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxyphenyl)-5-(tetrazol-1-yl)benzamide
CID 25252950
3,4-dimethoxy-N-[2-[(3-methoxy-4-phenylmethoxyphenyl)methylamino]ethyl]benzamide
CID 4309421
3-fluoro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55381483
4-ethoxy-3-methoxy-N'-[2-[4-(tetrazol-1-yl)phenyl]acetyl]benzohydrazide
CID 55601488
3-(carbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 9470765
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24602270
4-chloro-N-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]benzamide
CID 55745020
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(methylsulfinylmethyl)benzamide
CID 16597574
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 27865745
2-(4-methoxyphenyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]acetamide
CID 27865855

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide (CID 32651524) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide is COc1cc(CNC(=O)c2ccc(-n3cnnn3)cc2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is DUAWXYLQJGUWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-30-22-13-18(7-12-21(22)31-15-17-5-3-2-4-6-17)14-24-23(29)19-8-10-20(11-9-19)28-16-25-26-27-28/h2-13,16H,14-15H2,1H3,(H,24,29).
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 415.45 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 32651524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).