N-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide

C16H22N6O — CID 36913316

IUPACN-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
SMILESCc1nnnn1-c1cccc(NCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C16H22N6O/c1-12-19-20-21-22(12)15-9-5-8-14(10-15)17-11-16(23)18-13-6-3-2-4-7-13/h5,8-10,13,17H,2-4,6-7,11H2,1H3,(H,18,23)
InChIKeySBOUEIWOHPBETH-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.83
Rot. Bonds5

About N-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide

N-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide (PubChem CID 36913316) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
PubChem CID36913316
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC NameN-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
SMILESCc1nnnn1-c1cccc(NCC(=O)NC2CCCCC2)c1
InChIInChI=1S/C16H22N6O/c1-12-19-20-21-22(12)15-9-5-8-14(10-15)17-11-16(23)18-13-6-3-2-4-7-13/h5,8-10,13,17H,2-4,6-7,11H2,1H3,(H,18,23)
InChIKeySBOUEIWOHPBETH-UHFFFAOYSA-N
XLogP1.83
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-3-(5-methyltetrazol-1-yl)aniline
CID 43733994
2-[3-(5-methyltetrazol-1-yl)anilino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 60562188
3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 60866406
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide
CID 54842743
N-[4-(cyanomethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 36914785
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide
CID 36912952
1-[2-[3-(5-methyltetrazol-1-yl)anilino]acetyl]imidazolidin-2-one
CID 36914526
4-[[3-(5-methyltetrazol-1-yl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672862
N-cyclohexyl-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843492
N-cyclohexyl-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 1449761
3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline
CID 63951883
2-(3-bromo-4-methylanilino)-N-cyclopentylacetamide
CID 63333682

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide?
The IUPAC name of N-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide (CID 36913316) is N-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide is Cc1nnnn1-c1cccc(NCC(=O)NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide?
The InChIKey is SBOUEIWOHPBETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-12-19-20-21-22(12)15-9-5-8-14(10-15)17-11-16(23)18-13-6-3-2-4-7-13/h5,8-10,13,17H,2-4,6-7,11H2,1H3,(H,18,23).
What are the key properties of N-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide?
N-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide has a molecular weight of 314.39 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-(5-methyltetrazol-1-yl)anilino]acetamide is sourced from PubChem (CID 36913316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).