N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide

C19H21N5O2 — CID 24678149

IUPACN-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide
SMILESCC(OCCCNC(=O)c1ccccc1-n1cnnn1)c1ccccc1
InChIInChI=1S/C19H21N5O2/c1-15(16-8-3-2-4-9-16)26-13-7-12-20-19(25)17-10-5-6-11-18(17)24-14-21-22-23-24/h2-6,8-11,14-15H,7,12-13H2,1H3,(H,20,25)
InChIKeyBWNUBKZULIUNDO-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.56
Rot. Bonds8

About N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide

N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 24678149) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide
PubChem CID24678149
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC NameN-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide
SMILESCC(OCCCNC(=O)c1ccccc1-n1cnnn1)c1ccccc1
InChIInChI=1S/C19H21N5O2/c1-15(16-8-3-2-4-9-16)26-13-7-12-20-19(25)17-10-5-6-11-18(17)24-14-21-22-23-24/h2-6,8-11,14-15H,7,12-13H2,1H3,(H,20,25)
InChIKeyBWNUBKZULIUNDO-UHFFFAOYSA-N
XLogP2.56
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55483787
2-oxo-N-[3-(1-phenylethoxy)propyl]-1H-pyridine-3-carboxamide
CID 42883825
N-(1-methoxypropan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 46642572
2,3-dichloro-N-[3-(1-phenylethoxy)propyl]benzamide
CID 75866116
N-[3-(1-phenylethoxy)propyl]-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide
CID 55556542
N-[2-(2-methoxyphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 51151935
4-methoxy-N-[3-(1-phenylethoxy)propyl]benzamide
CID 42942710
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55535580
3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide
CID 33235152
4-(aminomethyl)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 119273569
N-(5-methylhexan-2-yl)-2-(tetrazol-1-yl)benzamide
CID 78789374

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide (CID 24678149) is N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide is CC(OCCCNC(=O)c1ccccc1-n1cnnn1)c1ccccc1.
What is the InChIKey of N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is BWNUBKZULIUNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-15(16-8-3-2-4-9-16)26-13-7-12-20-19(25)17-10-5-6-11-18(17)24-14-21-22-23-24/h2-6,8-11,14-15H,7,12-13H2,1H3,(H,20,25).
What are the key properties of N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide?
N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-phenylethoxy)propyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 24678149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).