N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide

C18H24ClN5O — CID 30313030

IUPACN-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide
SMILESCCC(=O)NC1(c2nnnn2-c2ccc(C)c(Cl)c2)CCC(C)CC1
InChIInChI=1S/C18H24ClN5O/c1-4-16(25)20-18(9-7-12(2)8-10-18)17-21-22-23-24(17)14-6-5-13(3)15(19)11-14/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,25)
InChIKeyRTIJUNYZPOGYIN-UHFFFAOYSA-N
MW361.88 g/mol
LogP3.56
Rot. Bonds4

About N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide

N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide (PubChem CID 30313030) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide.

Molecular Properties

Compound NameN-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide
PubChem CID30313030
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC NameN-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide
SMILESCCC(=O)NC1(c2nnnn2-c2ccc(C)c(Cl)c2)CCC(C)CC1
InChIInChI=1S/C18H24ClN5O/c1-4-16(25)20-18(9-7-12(2)8-10-18)17-21-22-23-24(17)14-6-5-13(3)15(19)11-14/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,25)
InChIKeyRTIJUNYZPOGYIN-UHFFFAOYSA-N
XLogP3.56
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[1-(3-chloro-2-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide
CID 30313026
N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-4-methylaniline
CID 30312342
N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2-methylaniline
CID 30314783
N-[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]benzamide
CID 30312897
ethyl 2-[[1-[1-(3-methoxyphenyl)tetrazol-5-yl]-4-methylcyclohexyl]amino]acetate
CID 30312714
ethyl 4-[5-[4-methyl-1-(4-methylanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30312316
1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-N-ethyl-4-methylcyclohexan-1-amine
CID 30314444
ethyl 3-[5-[4-methyl-1-(4-methylanilino)cyclohexyl]tetrazol-1-yl]benzoate
CID 30312319
ethyl 3-[5-[1-(3,5-dimethylanilino)-4-methylcyclohexyl]tetrazol-1-yl]benzoate
CID 30312601
N-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]-2,2,2-trifluoroacetamide
CID 56694248
3-bromo-4-methyl-N-[4-methyl-1-[1-(4-methylphenyl)tetrazol-5-yl]cyclohexyl]aniline
CID 3560575
1-[1-(2,4-dimethylphenyl)tetrazol-5-yl]-4-methyl-N-propylcyclohexan-1-amine
CID 30314136

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide?
The IUPAC name of N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide (CID 30313030) is N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide.
What is the SMILES notation for N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide?
The canonical SMILES for N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide is CCC(=O)NC1(c2nnnn2-c2ccc(C)c(Cl)c2)CCC(C)CC1.
What is the InChIKey of N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide?
The InChIKey is RTIJUNYZPOGYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN5O/c1-4-16(25)20-18(9-7-12(2)8-10-18)17-21-22-23-24(17)14-6-5-13(3)15(19)11-14/h5-6,11-12H,4,7-10H2,1-3H3,(H,20,25).
What are the key properties of N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide?
N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide has a molecular weight of 361.88 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]-4-methylcyclohexyl]propanamide is sourced from PubChem (CID 30313030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).