N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide

C20H21N5O2 — CID 86893928

IUPACN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C20H21N5O2/c1-13(2)27-18-6-4-3-5-17(18)20(26)21-15-9-7-14(8-10-15)19-22-23-24-25(19)16-11-12-16/h3-10,13,16H,11-12H2,1-2H3,(H,21,26)
InChIKeyOYQFQHHHUMKRDL-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.71
Rot. Bonds6

About N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide (PubChem CID 86893928) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide
PubChem CID86893928
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccccc1C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C20H21N5O2/c1-13(2)27-18-6-4-3-5-17(18)20(26)21-15-9-7-14(8-10-15)19-22-23-24-25(19)16-11-12-16/h3-10,13,16H,11-12H2,1-2H3,(H,21,26)
InChIKeyOYQFQHHHUMKRDL-UHFFFAOYSA-N
XLogP3.71
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 30701945
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 55537086
2-propan-2-yloxy-N-[4-[(2-propan-2-yloxybenzoyl)amino]phenyl]benzamide
CID 17046033
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-phenoxybenzamide
CID 41181527
4-bromo-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethoxybenzamide
CID 30702128
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide
CID 46548478
tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate
CID 65142786
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(2-ethoxyphenoxy)butanamide
CID 55536713
1-benzyl-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-5-ethylpyrazole-4-carboxamide
CID 78873492
N-(4-acetamidophenyl)-2-propan-2-yloxybenzamide
CID 17045479
(E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide
CID 112725246
N-[2-[[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamoylamino]ethyl]benzamide
CID 55698362

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide?
The IUPAC name of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide (CID 86893928) is N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide?
The canonical SMILES for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide is CC(C)Oc1ccccc1C(=O)Nc1ccc(-c2nnnn2C2CC2)cc1.
What is the InChIKey of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide?
The InChIKey is OYQFQHHHUMKRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13(2)27-18-6-4-3-5-17(18)20(26)21-15-9-7-14(8-10-15)19-22-23-24-25(19)16-11-12-16/h3-10,13,16H,11-12H2,1-2H3,(H,21,26).
What are the key properties of N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide?
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide has a molecular weight of 363.42 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-2-propan-2-yloxybenzamide is sourced from PubChem (CID 86893928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).