2-(5-tert-butyltetrazol-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide

C17H23N5O — CID 56821086

IUPAC2-(5-tert-butyltetrazol-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESCC(C)(C)c1nnnn1CC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C17H23N5O/c1-16(2,3)15-19-20-21-22(15)11-14(23)18-12-17(9-10-17)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,18,23)
InChIKeyGXVNABLOFZGIDT-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.82
Rot. Bonds5

About 2-(5-tert-butyltetrazol-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide

2-(5-tert-butyltetrazol-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide (PubChem CID 56821086) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 2-(5-tert-butyltetrazol-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-tert-butyltetrazol-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
PubChem CID56821086
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name2-(5-tert-butyltetrazol-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
SMILESCC(C)(C)c1nnnn1CC(=O)NCC1(c2ccccc2)CC1
InChIInChI=1S/C17H23N5O/c1-16(2,3)15-19-20-21-22(15)11-14(23)18-12-17(9-10-17)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,18,23)
InChIKeyGXVNABLOFZGIDT-UHFFFAOYSA-N
XLogP1.82
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-tert-butyltetrazol-1-yl)-N-(2-phenylethyl)acetamide
CID 60548380
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
2-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 41288066
2-(5-tert-butyltetrazol-1-yl)-N-(cyclohexylmethyl)acetamide
CID 146123479
N-(3-acetylphenyl)-2-(5-tert-butyltetrazol-1-yl)acetamide
CID 60548282
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
N-[[1-(2-fluorophenyl)cyclopentyl]methyl]-2-(5-methyltetrazol-1-yl)acetamide
CID 56868307
N-[(1-phenylcyclopentyl)methyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 44667750
2-[1-(4-hydroxyphenyl)tetrazol-5-yl]sulfanyl-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 31372285
N-[(1-phenylcyclopentyl)methyl]-2-piperidin-1-ylacetamide chloride
CID 53347611
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(1-phenylcyclobutyl)methyl]acetamide
CID 30914150

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide?
The IUPAC name of 2-(5-tert-butyltetrazol-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide (CID 56821086) is 2-(5-tert-butyltetrazol-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide.
What is the SMILES notation for 2-(5-tert-butyltetrazol-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide?
The canonical SMILES for 2-(5-tert-butyltetrazol-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide is CC(C)(C)c1nnnn1CC(=O)NCC1(c2ccccc2)CC1.
What is the InChIKey of 2-(5-tert-butyltetrazol-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide?
The InChIKey is GXVNABLOFZGIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-16(2,3)15-19-20-21-22(15)11-14(23)18-12-17(9-10-17)13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,18,23).
What are the key properties of 2-(5-tert-butyltetrazol-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide?
2-(5-tert-butyltetrazol-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide has a molecular weight of 313.41 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-tert-butyltetrazol-1-yl)-N-[(1-phenylcyclopropyl)methyl]acetamide is sourced from PubChem (CID 56821086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).