N-(2-hydroxy-2-methylpropyl)-N-propan-2-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide

C16H23N5O2 — CID 71847721

IUPACN-(2-hydroxy-2-methylpropyl)-N-propan-2-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCC(C)N(CC(C)(C)O)C(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H23N5O2/c1-12(2)20(10-16(3,4)23)15(22)9-13-5-7-14(8-6-13)21-11-17-18-19-21/h5-8,11-12,23H,9-10H2,1-4H3
InChIKeyCEDGNZXVVQSWSR-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.21
Rot. Bonds6

About N-(2-hydroxy-2-methylpropyl)-N-propan-2-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-(2-hydroxy-2-methylpropyl)-N-propan-2-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 71847721) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N-propan-2-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N-propan-2-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID71847721
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N-propan-2-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCC(C)N(CC(C)(C)O)C(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C16H23N5O2/c1-12(2)20(10-16(3,4)23)15(22)9-13-5-7-14(8-6-13)21-11-17-18-19-21/h5-8,11-12,23H,9-10H2,1-4H3
InChIKeyCEDGNZXVVQSWSR-UHFFFAOYSA-N
XLogP1.21
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[propan-2-yl-[2-[4-(tetrazol-1-yl)phenyl]acetyl]amino]acetic acid
CID 119198737
N-(3,3-dimethylbutyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55656209
[4-(tetrazol-1-yl)phenyl]methanol
CID 67038028
1-[4-(2-methylpropyl)phenyl]tetrazole
CID 153454015
N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide
CID 65109439
N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 52763841
N-methyl-N-(pyridin-3-ylmethyl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 86980548
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 55601396
N-cyclopentyl-N-phenyl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 75462753
(2R)-2-[4-(tetrazol-1-yl)phenyl]propanoic acid
CID 124637262
N-methyl-2-[4-(tetrazol-1-yl)phenyl]-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 56643412
N-propyl-N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119532441

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-propan-2-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N-propan-2-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 71847721) is N-(2-hydroxy-2-methylpropyl)-N-propan-2-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N-propan-2-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N-propan-2-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide is CC(C)N(CC(C)(C)O)C(=O)Cc1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N-propan-2-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is CEDGNZXVVQSWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-12(2)20(10-16(3,4)23)15(22)9-13-5-7-14(8-6-13)21-11-17-18-19-21/h5-8,11-12,23H,9-10H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N-propan-2-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-(2-hydroxy-2-methylpropyl)-N-propan-2-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 317.39 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N-propan-2-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 71847721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).