N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-(tetrazol-1-yl)benzamide

C14H17N5O2 — CID 91954353

IUPACN-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCC1(CO)CCC1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H17N5O2/c20-9-14(6-1-7-14)8-15-13(21)11-2-4-12(5-3-11)19-10-16-17-18-19/h2-5,10,20H,1,6-9H2,(H,15,21)
InChIKeyLUVFNSRJCMGGPR-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.55
Rot. Bonds5

About N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-(tetrazol-1-yl)benzamide

N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 91954353) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-(tetrazol-1-yl)benzamide
PubChem CID91954353
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC NameN-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-(tetrazol-1-yl)benzamide
SMILESO=C(NCC1(CO)CCC1)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H17N5O2/c20-9-14(6-1-7-14)8-15-13(21)11-2-4-12(5-3-11)19-10-16-17-18-19/h2-5,10,20H,1,6-9H2,(H,15,21)
InChIKeyLUVFNSRJCMGGPR-UHFFFAOYSA-N
XLogP0.55
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid
CID 65452192
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
N-[2-(ethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 55101010
N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide
CID 43600862
5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 62033210
N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide
CID 65109439
N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide
CID 115612743
2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
CID 66172388
4-(1,1-dioxothiazinan-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 110310139
N-[[4-[(dimethylamino)methyl]oxan-4-yl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 91957416
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110310142
4-(hydroxymethyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 113313378

Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-(tetrazol-1-yl)benzamide (CID 91954353) is N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-(tetrazol-1-yl)benzamide is O=C(NCC1(CO)CCC1)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is LUVFNSRJCMGGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c20-9-14(6-1-7-14)8-15-13(21)11-2-4-12(5-3-11)19-10-16-17-18-19/h2-5,10,20H,1,6-9H2,(H,15,21).
What are the key properties of N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-(tetrazol-1-yl)benzamide?
N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 287.32 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclobutyl]methyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 91954353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).