3-propoxy-N-(2-propyltetrazol-5-yl)benzamide

C14H19N5O2 — CID 649277

IUPAC3-propoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCOc1cccc(C(=O)Nc2nnn(CCC)n2)c1
InChIInChI=1S/C14H19N5O2/c1-3-8-19-17-14(16-18-19)15-13(20)11-6-5-7-12(10-11)21-9-4-2/h5-7,10H,3-4,8-9H2,1-2H3,(H,15,17,20)
InChIKeyOYBBCNMRFBKVIH-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.12
Rot. Bonds7

About 3-propoxy-N-(2-propyltetrazol-5-yl)benzamide

3-propoxy-N-(2-propyltetrazol-5-yl)benzamide (PubChem CID 649277) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-propoxy-N-(2-propyltetrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-propoxy-N-(2-propyltetrazol-5-yl)benzamide
PubChem CID649277
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-propoxy-N-(2-propyltetrazol-5-yl)benzamide
SMILESCCCOc1cccc(C(=O)Nc2nnn(CCC)n2)c1
InChIInChI=1S/C14H19N5O2/c1-3-8-19-17-14(16-18-19)15-13(20)11-6-5-7-12(10-11)21-9-4-2/h5-7,10H,3-4,8-9H2,1-2H3,(H,15,17,20)
InChIKeyOYBBCNMRFBKVIH-UHFFFAOYSA-N
XLogP2.12
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Bas 07005712
CID 656143
N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide
CID 925659
3-ethoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893318
4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 900454
2-methoxy-N-[(2-propyl-2H-tetrazol-5-yl)carbamothioyl]benzamide
CID 936801
3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 4055929
4-ethoxy-N-(2-ethyl-2H-tetrazol-5-yl)benzamide
CID 654362
2-ethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 896527
N-(2-ethyl-2H-tetrazol-5-yl)-3-(2-oxo-2H-chromen-3-yl)benzamide
CID 1091686
N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide
CID 3158217
3,5-dimethoxy-N-[(2-methyltetrazol-5-yl)carbamothioyl]benzamide
CID 931341
3-(allyloxy)-N-4H-1,2,4-triazol-3-ylbenzamide
CID 2995099

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-(2-propyltetrazol-5-yl)benzamide?
The IUPAC name of 3-propoxy-N-(2-propyltetrazol-5-yl)benzamide (CID 649277) is 3-propoxy-N-(2-propyltetrazol-5-yl)benzamide.
What is the SMILES notation for 3-propoxy-N-(2-propyltetrazol-5-yl)benzamide?
The canonical SMILES for 3-propoxy-N-(2-propyltetrazol-5-yl)benzamide is CCCOc1cccc(C(=O)Nc2nnn(CCC)n2)c1.
What is the InChIKey of 3-propoxy-N-(2-propyltetrazol-5-yl)benzamide?
The InChIKey is OYBBCNMRFBKVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-8-19-17-14(16-18-19)15-13(20)11-6-5-7-12(10-11)21-9-4-2/h5-7,10H,3-4,8-9H2,1-2H3,(H,15,17,20).
What are the key properties of 3-propoxy-N-(2-propyltetrazol-5-yl)benzamide?
3-propoxy-N-(2-propyltetrazol-5-yl)benzamide has a molecular weight of 289.34 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-(2-propyltetrazol-5-yl)benzamide is sourced from PubChem (CID 649277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).