1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide

C22H26N6O — CID 119312724

IUPAC1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)CCCCC1
InChIInChI=1S/C22H26N6O/c23-22(14-5-2-6-15-22)21(29)24-19-11-9-17(10-12-19)13-16-28-26-20(25-27-28)18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-16,23H2,(H,24,29)
InChIKeyXKNXBMCUUFSQMM-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.18
Rot. Bonds6

About 1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide

1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide (PubChem CID 119312724) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide
PubChem CID119312724
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)CCCCC1
InChIInChI=1S/C22H26N6O/c23-22(14-5-2-6-15-22)21(29)24-19-11-9-17(10-12-19)13-16-28-26-20(25-27-28)18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-16,23H2,(H,24,29)
InChIKeyXKNXBMCUUFSQMM-UHFFFAOYSA-N
XLogP3.18
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclopentane-1-carboxamide
CID 119312718
3-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]butanamide;hydrochloride
CID 119764922
2-methyl-3-(methylamino)-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide
CID 119764919
N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]piperidine-2-carboxamide
CID 119312708
2-amino-3-methoxy-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]propanamide;hydrochloride
CID 120988311
1-amino-N-[4-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119312969
N-(ethylcarbamoyl)-2-[4-[2-(5-phenyltetrazol-2-yl)ethyl]anilino]acetamide
CID 60614990
N-[3-[3-aminopropyl(methyl)amino]propyl]-N'-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]oxamide
CID 167832296
2-(5-phenyltetrazol-2-yl)-N-(4-propylphenyl)acetamide
CID 24564895
1-amino-N-(4-propylphenyl)cyclopentane-1-carboxamide
CID 54925144
1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 113397756
1-amino-N-[4-(3,3,3-trifluoropropyl)phenyl]cyclopentane-1-carboxamide
CID 119337924

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide (CID 119312724) is 1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide is NC1(C(=O)Nc2ccc(CCn3nnc(-c4ccccc4)n3)cc2)CCCCC1.
What is the InChIKey of 1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide?
The InChIKey is XKNXBMCUUFSQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c23-22(14-5-2-6-15-22)21(29)24-19-11-9-17(10-12-19)13-16-28-26-20(25-27-28)18-7-3-1-4-8-18/h1,3-4,7-12H,2,5-6,13-16,23H2,(H,24,29).
What are the key properties of 1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide?
1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-[2-(5-phenyltetrazol-2-yl)ethyl]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119312724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).