N-[2-(4-methoxyphenyl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

C17H23N5O2 — CID 45493996

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc(CCNC(=O)C2(n3cnnn3)CCCCC2)cc1
InChIInChI=1S/C17H23N5O2/c1-24-15-7-5-14(6-8-15)9-12-18-16(23)17(10-3-2-4-11-17)22-13-19-20-21-22/h5-8,13H,2-4,9-12H2,1H3,(H,18,23)
InChIKeyDSUDTUMHRCBCDJ-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.70
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (PubChem CID 45493996) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
PubChem CID45493996
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide
SMILESCOc1ccc(CCNC(=O)C2(n3cnnn3)CCCCC2)cc1
InChIInChI=1S/C17H23N5O2/c1-24-15-7-5-14(6-8-15)9-12-18-16(23)17(10-3-2-4-11-17)22-13-19-20-21-22/h5-8,13H,2-4,9-12H2,1H3,(H,18,23)
InChIKeyDSUDTUMHRCBCDJ-UHFFFAOYSA-N
XLogP1.70
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide (CID 45493996) is N-[2-(4-methoxyphenyl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is COc1ccc(CCNC(=O)C2(n3cnnn3)CCCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
The InChIKey is DSUDTUMHRCBCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-24-15-7-5-14(6-8-15)9-12-18-16(23)17(10-3-2-4-11-17)22-13-19-20-21-22/h5-8,13H,2-4,9-12H2,1H3,(H,18,23).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-(tetrazol-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 45493996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).