N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-2-(tetrazol-1-yl)acetamide

C15H19N5O2 — CID 125145764

IUPACN-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-2-(tetrazol-1-yl)acetamide
SMILESCOc1ccc(N(C(=O)Cn2cnnn2)[C@H](C)C2CC2)cc1
InChIInChI=1S/C15H19N5O2/c1-11(12-3-4-12)20(13-5-7-14(22-2)8-6-13)15(21)9-19-10-16-17-18-19/h5-8,10-12H,3-4,9H2,1-2H3/t11-/m1/s1
InChIKeyWKYCXDWIUNDSSL-LLVKDONJSA-N
MW301.35 g/mol
LogP1.51
Rot. Bonds6

About N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-2-(tetrazol-1-yl)acetamide

N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-2-(tetrazol-1-yl)acetamide (PubChem CID 125145764) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-2-(tetrazol-1-yl)acetamide
PubChem CID125145764
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-2-(tetrazol-1-yl)acetamide
SMILESCOc1ccc(N(C(=O)Cn2cnnn2)[C@H](C)C2CC2)cc1
InChIInChI=1S/C15H19N5O2/c1-11(12-3-4-12)20(13-5-7-14(22-2)8-6-13)15(21)9-19-10-16-17-18-19/h5-8,10-12H,3-4,9H2,1-2H3/t11-/m1/s1
InChIKeyWKYCXDWIUNDSSL-LLVKDONJSA-N
XLogP1.51
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-2-(tetrazol-1-yl)acetamide (CID 125145764) is N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-2-(tetrazol-1-yl)acetamide is COc1ccc(N(C(=O)Cn2cnnn2)[C@H](C)C2CC2)cc1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-2-(tetrazol-1-yl)acetamide?
The InChIKey is WKYCXDWIUNDSSL-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-11(12-3-4-12)20(13-5-7-14(22-2)8-6-13)15(21)9-19-10-16-17-18-19/h5-8,10-12H,3-4,9H2,1-2H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-2-(tetrazol-1-yl)acetamide?
N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-2-(tetrazol-1-yl)acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 125145764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).