N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide

C14H19N5O2 — CID 25487562

IUPACN-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide
SMILESCC(C)OCCCNC(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H19N5O2/c1-10(2)21-9-3-8-15-14(20)12-6-4-11(5-7-12)13-16-18-19-17-13/h4-7,10H,3,8-9H2,1-2H3,(H,15,20)(H,16,17,18,19)
InChIKeyHYXSRQUWVRGGPI-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.41
Rot. Bonds7

About N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide

N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide (PubChem CID 25487562) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide
PubChem CID25487562
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC NameN-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide
SMILESCC(C)OCCCNC(=O)c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H19N5O2/c1-10(2)21-9-3-8-15-14(20)12-6-4-11(5-7-12)13-16-18-19-17-13/h4-7,10H,3,8-9H2,1-2H3,(H,15,20)(H,16,17,18,19)
InChIKeyHYXSRQUWVRGGPI-UHFFFAOYSA-N
XLogP1.41
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
N-[2-(3,4-difluorophenoxy)ethyl]-4-(2H-tetrazol-5-yl)benzamide
CID 56782452
4-(2H-tetrazol-5-yl)benzohydrazide
CID 43091169
4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104759817
4-(2-methylpropanoylamino)-N-(3-propan-2-yloxypropyl)benzamide
CID 7376221
4-phenoxy-N-(3-propan-2-yloxypropyl)benzamide
CID 4825822
4-(4-aminoquinolin-8-yl)-N-(3-propan-2-yloxypropyl)benzamide
CID 122568323
N-ethoxy-4-(2H-tetrazol-5-yl)benzamide
CID 60717193
3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 54385024
4-chloro-N-[2-[5-(2H-tetrazol-5-yl)pyrimidin-2-yl]oxyethyl]benzamide
CID 166984084
4-chloro-N-[3-oxo-3-(3-propan-2-yloxypropylamino)propyl]benzamide
CID 30877404
N-(3-propan-2-yloxypropyl)naphthalene-2-carboxamide
CID 110485660

Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide (CID 25487562) is N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide is CC(C)OCCCNC(=O)c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide?
The InChIKey is HYXSRQUWVRGGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10(2)21-9-3-8-15-14(20)12-6-4-11(5-7-12)13-16-18-19-17-13/h4-7,10H,3,8-9H2,1-2H3,(H,15,20)(H,16,17,18,19).
What are the key properties of N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide?
N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide has a molecular weight of 289.34 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxypropyl)-4-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 25487562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).