N-[3-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]cyclobutanecarboxamide

C14H16N6O2 — CID 1440253

IUPACN-[3-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]cyclobutanecarboxamide
SMILESNC(=O)Cn1nnc(-c2cccc(NC(=O)C3CCC3)c2)n1
InChIInChI=1S/C14H16N6O2/c15-12(21)8-20-18-13(17-19-20)10-5-2-6-11(7-10)16-14(22)9-3-1-4-9/h2,5-7,9H,1,3-4,8H2,(H2,15,21)(H,16,22)
InChIKeyMZCSLSIDRGQZLD-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.56
Rot. Bonds5

About N-[3-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]cyclobutanecarboxamide

N-[3-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]cyclobutanecarboxamide (PubChem CID 1440253) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[3-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]cyclobutanecarboxamide
PubChem CID1440253
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC NameN-[3-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]cyclobutanecarboxamide
SMILESNC(=O)Cn1nnc(-c2cccc(NC(=O)C3CCC3)c2)n1
InChIInChI=1S/C14H16N6O2/c15-12(21)8-20-18-13(17-19-20)10-5-2-6-11(7-10)16-14(22)9-3-1-4-9/h2,5-7,9H,1,3-4,8H2,(H2,15,21)(H,16,22)
InChIKeyMZCSLSIDRGQZLD-UHFFFAOYSA-N
XLogP0.56
TPSA115.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(3-fluorophenyl)tetrazol-2-yl]acetamide
CID 30823221
N-[3-[[4-(5-phenyltetrazol-2-yl)butanoylamino]methyl]phenyl]cyclohexanecarboxamide
CID 86874567
2-[5-[3-[(1-acetyl-5-oxo-2H-pyrrol-3-yl)amino]phenyl]tetrazol-2-yl]acetamide
CID 91822756
2-[5-[3-[(2-cyanoacetyl)amino]phenyl]tetrazol-2-yl]acetic acid
CID 168524333
(2S)-N-[3-(2-ethyltetrazol-5-yl)phenyl]-2-(hydroxymethyl)piperidine-1-carboxamide
CID 125177307
1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 131935611
4-[[2-[5-(3-fluorophenyl)tetrazol-2-yl]acetyl]amino]benzamide
CID 7491286
2-amino-5-[3-(cyclobutanecarbonylamino)phenyl]imidazole-1-carboxylic acid
CID 68895407
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
2-[5-[3-[2-(carboxymethyl)tetrazol-5-yl]phenyl]tetrazol-2-yl]acetic acid
CID 132537677
N-(3-phenoxyphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 4588904
N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]cyclohexanecarboxamide
CID 8960812

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]cyclobutanecarboxamide (CID 1440253) is N-[3-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]cyclobutanecarboxamide is NC(=O)Cn1nnc(-c2cccc(NC(=O)C3CCC3)c2)n1.
What is the InChIKey of N-[3-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]cyclobutanecarboxamide?
The InChIKey is MZCSLSIDRGQZLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c15-12(21)8-20-18-13(17-19-20)10-5-2-6-11(7-10)16-14(22)9-3-1-4-9/h2,5-7,9H,1,3-4,8H2,(H2,15,21)(H,16,22).
What are the key properties of N-[3-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]cyclobutanecarboxamide?
N-[3-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]cyclobutanecarboxamide has a molecular weight of 300.32 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-amino-2-oxoethyl)tetrazol-5-yl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 1440253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).