4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide

C12H15N5O3 — CID 14276517

IUPAC4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nn[nH]n2)c(OC(C)C)c1
InChIInChI=1S/C12H15N5O3/c1-7(2)20-10-6-8(19-3)4-5-9(10)11(18)13-12-14-16-17-15-12/h4-7H,1-3H3,(H2,13,14,15,16,17,18)
InChIKeyCFAKEAKRPMFMIF-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.25
Rot. Bonds5

About 4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide

4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 14276517) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is 4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
PubChem CID14276517
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Name4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2nn[nH]n2)c(OC(C)C)c1
InChIInChI=1S/C12H15N5O3/c1-7(2)20-10-6-8(19-3)4-5-9(10)11(18)13-12-14-16-17-15-12/h4-7H,1-3H3,(H2,13,14,15,16,17,18)
InChIKeyCFAKEAKRPMFMIF-UHFFFAOYSA-N
XLogP1.25
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Bas 07005712
CID 656143
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-dimethoxybenzamide
CID 869015
3-iodo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
CID 14276518
N-(2-Ethyl-2H-tetrazol-5-yl)-2,6-dimethoxy-benzamide
CID 650151
4-ethoxy-N-(2-ethyl-2H-tetrazol-5-yl)benzamide
CID 654362
2,4-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 821625
2-ethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 896527
6-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
CID 13961693
3-bromo-4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide
CID 14276516
7-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-N-(2H-tetrazol-5-yl)heptanamide
CID 14820127
4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)-3-trimethylsilylbenzamide
CID 14873723
7-methoxy-4-oxo-N-(2H-tetrazol-5-yl)chromene-2-carboxamide
CID 53672144

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide (CID 14276517) is 4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide is COc1ccc(C(=O)Nc2nn[nH]n2)c(OC(C)C)c1.
What is the InChIKey of 4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is CFAKEAKRPMFMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-7(2)20-10-6-8(19-3)4-5-9(10)11(18)13-12-14-16-17-15-12/h4-7H,1-3H3,(H2,13,14,15,16,17,18).
What are the key properties of 4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide?
4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 277.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-propan-2-yloxy-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 14276517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).