1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]-1,3-dimethylurea

C17H24N6O2 — CID 30311076

IUPAC1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)C1(c2nnnn2-c2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C17H24N6O2/c1-18-16(24)22(2)17(11-5-4-6-12-17)15-19-20-21-23(15)13-7-9-14(25-3)10-8-13/h7-10H,4-6,11-12H2,1-3H3,(H,18,24)
InChIKeySFSOFDHJAVOWMK-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.10
Rot. Bonds4

About 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]-1,3-dimethylurea

1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]-1,3-dimethylurea (PubChem CID 30311076) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]-1,3-dimethylurea
PubChem CID30311076
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)C1(c2nnnn2-c2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C17H24N6O2/c1-18-16(24)22(2)17(11-5-4-6-12-17)15-19-20-21-23(15)13-7-9-14(25-3)10-8-13/h7-10H,4-6,11-12H2,1-3H3,(H,18,24)
InChIKeySFSOFDHJAVOWMK-UHFFFAOYSA-N
XLogP2.10
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-methoxyphenyl)tetrazol-5-yl]-N-methylcyclohexan-1-amine
CID 50812701
N-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30310198
N-methyl-N-[1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30310828
1-[1-[1-(2-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-1,3-dimethylurea
CID 30313624
N-[4-[[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]amino]phenyl]acetamide
CID 56691116
phenyl N-[1-[1-(1,3-benzodioxol-5-yl)tetrazol-5-yl]cyclohexyl]-N-methylcarbamate
CID 30311398
3-ethyl-1-methyl-1-[1-[1-(2-methylphenyl)tetrazol-5-yl]cyclohexyl]urea
CID 30311128
N-[1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)tetrazol-5-yl]cyclohexyl]-N-methylpropanamide
CID 30311028
methyl 2-[5-[1-(dimethylamino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30311605
N,N-diethyl-1-[1-(3-methoxyphenyl)tetrazol-5-yl]cyclohexan-1-amine
CID 30311781
4-methoxy-N-[(1R,2S)-1-[1-(4-methoxyphenyl)tetrazol-5-yl]-2-methylcyclohexyl]aniline
CID 7393898
N-methyl-N-[4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]acetamide
CID 30313406

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]-1,3-dimethylurea?
The IUPAC name of 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]-1,3-dimethylurea (CID 30311076) is 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]-1,3-dimethylurea.
What is the SMILES notation for 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]-1,3-dimethylurea?
The canonical SMILES for 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]-1,3-dimethylurea is CNC(=O)N(C)C1(c2nnnn2-c2ccc(OC)cc2)CCCCC1.
What is the InChIKey of 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]-1,3-dimethylurea?
The InChIKey is SFSOFDHJAVOWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-18-16(24)22(2)17(11-5-4-6-12-17)15-19-20-21-23(15)13-7-9-14(25-3)10-8-13/h7-10H,4-6,11-12H2,1-3H3,(H,18,24).
What are the key properties of 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]-1,3-dimethylurea?
1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]-1,3-dimethylurea has a molecular weight of 344.42 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-methoxyphenyl)tetrazol-5-yl]cyclohexyl]-1,3-dimethylurea is sourced from PubChem (CID 30311076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).