N-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide

C15H22N6O — CID 3188668

IUPACN-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide
SMILESCCC(C)NC(=O)Cn1nnc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C15H22N6O/c1-5-11(2)16-14(22)10-21-18-15(17-19-21)12-6-8-13(9-7-12)20(3)4/h6-9,11H,5,10H2,1-4H3,(H,16,22)
InChIKeyZYSAHWMFRSTHAV-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.32
Rot. Bonds6

About N-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide

N-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide (PubChem CID 3188668) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide
PubChem CID3188668
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide
SMILESCCC(C)NC(=O)Cn1nnc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C15H22N6O/c1-5-11(2)16-14(22)10-21-18-15(17-19-21)12-6-8-13(9-7-12)20(3)4/h6-9,11H,5,10H2,1-4H3,(H,16,22)
InChIKeyZYSAHWMFRSTHAV-UHFFFAOYSA-N
XLogP1.32
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetate
CID 860890
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide
CID 860998
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 7589146
N-[[(2R)-butan-2-yl]carbamoyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7713348
N-[(2S)-butan-2-yl]-2-[5-(2-chlorophenyl)tetrazol-2-yl]acetamide
CID 7634924
3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119221158
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(3-hydroxyphenyl)acetamide
CID 860865
N-[(2S)-1-methoxypropan-2-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465632
2-[5-(4-chlorophenyl)tetrazol-2-yl]-N-heptan-2-ylacetamide
CID 46608299
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-(4-ethoxyphenyl)acetamide
CID 1146774
N-[(1R)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465586
N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465585

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide (CID 3188668) is N-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide is CCC(C)NC(=O)Cn1nnc(-c2ccc(N(C)C)cc2)n1.
What is the InChIKey of N-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide?
The InChIKey is ZYSAHWMFRSTHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-5-11(2)16-14(22)10-21-18-15(17-19-21)12-6-8-13(9-7-12)20(3)4/h6-9,11H,5,10H2,1-4H3,(H,16,22).
What are the key properties of N-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide?
N-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]acetamide is sourced from PubChem (CID 3188668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).