N-[(1-butyltetrazol-5-yl)methyl]-3-methoxy-4-prop-2-enoxybenzamide

C17H23N5O3 — CID 56792182

IUPACN-[(1-butyltetrazol-5-yl)methyl]-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCc2nnnn2CCCC)cc1OC
InChIInChI=1S/C17H23N5O3/c1-4-6-9-22-16(19-20-21-22)12-18-17(23)13-7-8-14(25-10-5-2)15(11-13)24-3/h5,7-8,11H,2,4,6,9-10,12H2,1,3H3,(H,18,23)
InChIKeyBJNCHWBNIVHBLP-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.98
Rot. Bonds10

About N-[(1-butyltetrazol-5-yl)methyl]-3-methoxy-4-prop-2-enoxybenzamide

N-[(1-butyltetrazol-5-yl)methyl]-3-methoxy-4-prop-2-enoxybenzamide (PubChem CID 56792182) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(1-butyltetrazol-5-yl)methyl]-3-methoxy-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(1-butyltetrazol-5-yl)methyl]-3-methoxy-4-prop-2-enoxybenzamide
PubChem CID56792182
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[(1-butyltetrazol-5-yl)methyl]-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCc2nnnn2CCCC)cc1OC
InChIInChI=1S/C17H23N5O3/c1-4-6-9-22-16(19-20-21-22)12-18-17(23)13-7-8-14(25-10-5-2)15(11-13)24-3/h5,7-8,11H,2,4,6,9-10,12H2,1,3H3,(H,18,23)
InChIKeyBJNCHWBNIVHBLP-UHFFFAOYSA-N
XLogP1.98
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-prop-2-enoxy-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 27848760
3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide
CID 55575895
3-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-4-prop-2-enoxybenzamide
CID 47019688
(1-propyltetrazol-5-yl)methyl 4-butoxy-3-methoxybenzoate
CID 55398660
3-methoxy-4-prop-2-enoxy-N-(pyridin-3-ylmethyl)benzamide
CID 24538483
3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide
CID 27861011
3-methoxy-N-[2-(methylamino)ethyl]-4-prop-2-enoxybenzamide;hydrochloride
CID 119503473
N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide
CID 119998178
N-[(3-fluorophenyl)methyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46586210
N-[(2-ethylpyrazol-3-yl)methyl]-3,4-dimethoxybenzamide
CID 19294681
N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 119998177
3-[(1-butyltetrazol-5-yl)methoxy]-4-methoxybenzaldehyde
CID 102604048

Frequently Asked Questions

What is the IUPAC name of N-[(1-butyltetrazol-5-yl)methyl]-3-methoxy-4-prop-2-enoxybenzamide?
The IUPAC name of N-[(1-butyltetrazol-5-yl)methyl]-3-methoxy-4-prop-2-enoxybenzamide (CID 56792182) is N-[(1-butyltetrazol-5-yl)methyl]-3-methoxy-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(1-butyltetrazol-5-yl)methyl]-3-methoxy-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[(1-butyltetrazol-5-yl)methyl]-3-methoxy-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NCc2nnnn2CCCC)cc1OC.
What is the InChIKey of N-[(1-butyltetrazol-5-yl)methyl]-3-methoxy-4-prop-2-enoxybenzamide?
The InChIKey is BJNCHWBNIVHBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-4-6-9-22-16(19-20-21-22)12-18-17(23)13-7-8-14(25-10-5-2)15(11-13)24-3/h5,7-8,11H,2,4,6,9-10,12H2,1,3H3,(H,18,23).
What are the key properties of N-[(1-butyltetrazol-5-yl)methyl]-3-methoxy-4-prop-2-enoxybenzamide?
N-[(1-butyltetrazol-5-yl)methyl]-3-methoxy-4-prop-2-enoxybenzamide has a molecular weight of 345.40 g/mol, XLogP of 1.98, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butyltetrazol-5-yl)methyl]-3-methoxy-4-prop-2-enoxybenzamide is sourced from PubChem (CID 56792182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).