N-[(1R)-1-cyclopropylethyl]-2-[5-(3-phenylpropyl)tetrazol-1-yl]acetamide

C17H23N5O — CID 97222196

IUPACN-[(1R)-1-cyclopropylethyl]-2-[5-(3-phenylpropyl)tetrazol-1-yl]acetamide
SMILESC[C@@H](NC(=O)Cn1nnnc1CCCc1ccccc1)C1CC1
InChIInChI=1S/C17H23N5O/c1-13(15-10-11-15)18-17(23)12-22-16(19-20-21-22)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,18,23)/t13-/m1/s1
InChIKeyYPRFKRVBOCHYAF-CYBMUJFWSA-N
MW313.40 g/mol
LogP1.76
Rot. Bonds8

About N-[(1R)-1-cyclopropylethyl]-2-[5-(3-phenylpropyl)tetrazol-1-yl]acetamide

N-[(1R)-1-cyclopropylethyl]-2-[5-(3-phenylpropyl)tetrazol-1-yl]acetamide (PubChem CID 97222196) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-2-[5-(3-phenylpropyl)tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-2-[5-(3-phenylpropyl)tetrazol-1-yl]acetamide
PubChem CID97222196
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-[(1R)-1-cyclopropylethyl]-2-[5-(3-phenylpropyl)tetrazol-1-yl]acetamide
SMILESC[C@@H](NC(=O)Cn1nnnc1CCCc1ccccc1)C1CC1
InChIInChI=1S/C17H23N5O/c1-13(15-10-11-15)18-17(23)12-22-16(19-20-21-22)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,18,23)/t13-/m1/s1
InChIKeyYPRFKRVBOCHYAF-CYBMUJFWSA-N
XLogP1.76
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-[5-(3-phenylpropyl)tetrazol-1-yl]acetamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-[5-(3-phenylpropyl)tetrazol-1-yl]acetamide (CID 97222196) is N-[(1R)-1-cyclopropylethyl]-2-[5-(3-phenylpropyl)tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-2-[5-(3-phenylpropyl)tetrazol-1-yl]acetamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-2-[5-(3-phenylpropyl)tetrazol-1-yl]acetamide is C[C@@H](NC(=O)Cn1nnnc1CCCc1ccccc1)C1CC1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-2-[5-(3-phenylpropyl)tetrazol-1-yl]acetamide?
The InChIKey is YPRFKRVBOCHYAF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13(15-10-11-15)18-17(23)12-22-16(19-20-21-22)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,18,23)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-2-[5-(3-phenylpropyl)tetrazol-1-yl]acetamide?
N-[(1R)-1-cyclopropylethyl]-2-[5-(3-phenylpropyl)tetrazol-1-yl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-2-[5-(3-phenylpropyl)tetrazol-1-yl]acetamide is sourced from PubChem (CID 97222196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).