N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide

C17H25N5O2 — CID 111484159

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide
SMILESCC(C)C(C)(O)CNC(=O)CCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H25N5O2/c1-13(2)17(3,24)12-18-15(23)10-7-11-22-20-16(19-21-22)14-8-5-4-6-9-14/h4-6,8-9,13,24H,7,10-12H2,1-3H3,(H,18,23)
InChIKeyODTZDEVEEQTPQB-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.64
Rot. Bonds8

About N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide

N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide (PubChem CID 111484159) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide
PubChem CID111484159
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide
SMILESCC(C)C(C)(O)CNC(=O)CCCn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H25N5O2/c1-13(2)17(3,24)12-18-15(23)10-7-11-22-20-16(19-21-22)14-8-5-4-6-9-14/h4-6,8-9,13,24H,7,10-12H2,1-3H3,(H,18,23)
InChIKeyODTZDEVEEQTPQB-UHFFFAOYSA-N
XLogP1.64
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide
CID 95295934
N-[1-(2-methylphenyl)propan-2-yl]-4-(5-phenyltetrazol-2-yl)butanamide
CID 47085930
6-(5-phenyltetrazol-2-yl)hexan-3-one
CID 104623292
4-(5-phenyltetrazol-2-yl)-1-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]butan-1-one
CID 154800378
2-amino-N-[4-(5-phenyltetrazol-2-yl)butyl]acetamide
CID 177376612
2-methyl-4-(5-phenyltetrazol-2-yl)butan-2-ol
CID 79173649
4-bromo-N'-[4-(5-phenyltetrazol-2-yl)butanoyl]benzohydrazide
CID 86874442
2-amino-N-[8-(5-phenyltetrazol-2-yl)octyl]acetamide
CID 177376615
N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide
CID 111483635
2-amino-N-[6-(5-phenyltetrazol-2-yl)hexyl]acetamide
CID 177376609
3-(5-phenyltetrazol-2-yl)propyl 4-methylpentanoate
CID 86902685
2-cyano-N-methyl-3-oxo-6-(5-phenyltetrazol-2-yl)hexanamide
CID 56800660

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide (CID 111484159) is N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide is CC(C)C(C)(O)CNC(=O)CCCn1nnc(-c2ccccc2)n1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide?
The InChIKey is ODTZDEVEEQTPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-13(2)17(3,24)12-18-15(23)10-7-11-22-20-16(19-21-22)14-8-5-4-6-9-14/h4-6,8-9,13,24H,7,10-12H2,1-3H3,(H,18,23).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide?
N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide has a molecular weight of 331.42 g/mol, XLogP of 1.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-4-(5-phenyltetrazol-2-yl)butanamide is sourced from PubChem (CID 111484159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).