1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide

C16H22N6O — CID 119330027

IUPAC1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
SMILESCCn1nnnc1-c1cccc(NC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C16H22N6O/c1-2-22-14(19-20-21-22)12-7-6-8-13(11-12)18-15(23)16(17)9-4-3-5-10-16/h6-8,11H,2-5,9-10,17H2,1H3,(H,18,23)
InChIKeyLRTQXZVIIPGODK-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.96
Rot. Bonds4

About 1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide

1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 119330027) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
PubChem CID119330027
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
SMILESCCn1nnnc1-c1cccc(NC(=O)C2(N)CCCCC2)c1
InChIInChI=1S/C16H22N6O/c1-2-22-14(19-20-21-22)12-7-6-8-13(11-12)18-15(23)16(17)9-4-3-5-10-16/h6-8,11H,2-5,9-10,17H2,1H3,(H,18,23)
InChIKeyLRTQXZVIIPGODK-UHFFFAOYSA-N
XLogP1.96
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[3-(1-ethyltetrazol-5-yl)anilino]-2-oxoethyl]-1,3-dihydroindene-2-carboxylic acid
CID 119137391
N-[3-(1-ethyltetrazol-5-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119795061
1-amino-N-[3-(1-methylimidazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119856062
2-(cyclopropylmethylamino)-N-[3-(1-ethyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119795053
1-hydroxy-N-[3-(1-methyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide
CID 110907120
(3aS,6aR)-2-[[3-(1-ethyltetrazol-5-yl)phenyl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122085178
5-[3-(1-ethyltetrazol-5-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 119137389
N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119795067
N-[3-(1-ethyltetrazol-5-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119795069
1-amino-N-[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119299864
2-(2-aminoethyl)-N-[3-(1-ethyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120634528
3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide
CID 119269068

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide (CID 119330027) is 1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide is CCn1nnnc1-c1cccc(NC(=O)C2(N)CCCCC2)c1.
What is the InChIKey of 1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is LRTQXZVIIPGODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-2-22-14(19-20-21-22)12-7-6-8-13(11-12)18-15(23)16(17)9-4-3-5-10-16/h6-8,11H,2-5,9-10,17H2,1H3,(H,18,23).
What are the key properties of 1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide?
1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(1-ethyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119330027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).