N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide

C20H20N6O3 — CID 655145

IUPACN-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)C3CC3)n2)cc1
InChIInChI=1S/C20H20N6O3/c1-29-15-10-8-14(9-11-15)21-18(27)12-26-24-19(23-25-26)16-4-2-3-5-17(16)22-20(28)13-6-7-13/h2-5,8-11,13H,6-7,12H2,1H3,(H,21,27)(H,22,28)
InChIKeyVOCKZQNLWVGPBF-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.34
Rot. Bonds7

About N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide

N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide (PubChem CID 655145) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide
PubChem CID655145
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC NameN-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)C3CC3)n2)cc1
InChIInChI=1S/C20H20N6O3/c1-29-15-10-8-14(9-11-15)21-18(27)12-26-24-19(23-25-26)16-4-2-3-5-17(16)22-20(28)13-6-7-13/h2-5,8-11,13H,6-7,12H2,1H3,(H,21,27)(H,22,28)
InChIKeyVOCKZQNLWVGPBF-UHFFFAOYSA-N
XLogP2.34
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide (CID 655145) is N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide is COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)C3CC3)n2)cc1.
What is the InChIKey of N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is VOCKZQNLWVGPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-29-15-10-8-14(9-11-15)21-18(27)12-26-24-19(23-25-26)16-4-2-3-5-17(16)22-20(28)13-6-7-13/h2-5,8-11,13H,6-7,12H2,1H3,(H,21,27)(H,22,28).
What are the key properties of N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide?
N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 392.42 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(4-methoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 655145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).