1-cyclohexyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylurea

C18H26N6O — CID 75397346

IUPAC1-cyclohexyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylurea
SMILESCCCN(C(=O)Nc1ccc(C)c(-n2cnnn2)c1)C1CCCCC1
InChIInChI=1S/C18H26N6O/c1-3-11-23(16-7-5-4-6-8-16)18(25)20-15-10-9-14(2)17(12-15)24-13-19-21-22-24/h9-10,12-13,16H,3-8,11H2,1-2H3,(H,20,25)
InChIKeyWLHBABQFDFLZHZ-UHFFFAOYSA-N
MW342.45 g/mol
LogP3.55
Rot. Bonds5

About 1-cyclohexyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylurea

1-cyclohexyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylurea (PubChem CID 75397346) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylurea
PubChem CID75397346
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-cyclohexyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylurea
SMILESCCCN(C(=O)Nc1ccc(C)c(-n2cnnn2)c1)C1CCCCC1
InChIInChI=1S/C18H26N6O/c1-3-11-23(16-7-5-4-6-8-16)18(25)20-15-10-9-14(2)17(12-15)24-13-19-21-22-24/h9-10,12-13,16H,3-8,11H2,1-2H3,(H,20,25)
InChIKeyWLHBABQFDFLZHZ-UHFFFAOYSA-N
XLogP3.55
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1-dimethyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]urea
CID 47033827
N-[4-methyl-3-(tetrazol-1-yl)phenyl]-2-propan-2-ylpiperidine-1-carboxamide
CID 75524686
2-amino-N-[4-methyl-3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide
CID 64823717
ethyl 2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoacetate
CID 50776937
2-(cyclopropylmethylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119720369
4-[cyclohexyl(methyl)sulfamoyl]-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 55697672
3-(cyclopropylamino)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 60866697
2-(1-aminocyclobutyl)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]acetamide
CID 79843120
(3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51956219
3-chloro-2,2-dimethyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 63678479
2-[2-[4-methyl-3-(tetrazol-1-yl)anilino]-2-oxoethyl]sulfanylacetic acid
CID 104569427
3-chloro-2-methyl-N-[4-methyl-3-(tetrazol-1-yl)phenyl]propanamide
CID 62728665

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylurea?
The IUPAC name of 1-cyclohexyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylurea (CID 75397346) is 1-cyclohexyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylurea.
What is the SMILES notation for 1-cyclohexyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylurea?
The canonical SMILES for 1-cyclohexyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylurea is CCCN(C(=O)Nc1ccc(C)c(-n2cnnn2)c1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylurea?
The InChIKey is WLHBABQFDFLZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-3-11-23(16-7-5-4-6-8-16)18(25)20-15-10-9-14(2)17(12-15)24-13-19-21-22-24/h9-10,12-13,16H,3-8,11H2,1-2H3,(H,20,25).
What are the key properties of 1-cyclohexyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylurea?
1-cyclohexyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylurea has a molecular weight of 342.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylurea is sourced from PubChem (CID 75397346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).