N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide

C24H29N5O3 — CID 18621298

IUPACN-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide
SMILESCCn1nnc(-c2ccc(C(=O)NC3CCCCC3c3ccc(OC)c(OC)c3)cc2)n1
InChIInChI=1S/C24H29N5O3/c1-4-29-27-23(26-28-29)16-9-11-17(12-10-16)24(30)25-20-8-6-5-7-19(20)18-13-14-21(31-2)22(15-18)32-3/h9-15,19-20H,4-8H2,1-3H3,(H,25,30)
InChIKeyFEWOIZJGLIFICL-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.83
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide

N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide (PubChem CID 18621298) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide
PubChem CID18621298
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide
SMILESCCn1nnc(-c2ccc(C(=O)NC3CCCCC3c3ccc(OC)c(OC)c3)cc2)n1
InChIInChI=1S/C24H29N5O3/c1-4-29-27-23(26-28-29)16-9-11-17(12-10-16)24(30)25-20-8-6-5-7-19(20)18-13-14-21(31-2)22(15-18)32-3/h9-15,19-20H,4-8H2,1-3H3,(H,25,30)
InChIKeyFEWOIZJGLIFICL-UHFFFAOYSA-N
XLogP3.83
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3S,4R)-3-(3,4-dimethoxyphenyl)-1-methylpiperidin-4-yl]-4-(2-ethyltetrazol-5-yl)benzamide
CID 20637950
[(1R,3R,4R)-3-[3-(2,2-difluoroethoxy)-4-methoxyphenyl]-4-[[4-(2-ethyltetrazol-5-yl)benzoyl]amino]cyclohexyl] acetate
CID 90729718
methyl 2-[4-[[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]carbamoyl]phenyl]acetate
CID 54210068
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxy-3-(2-methoxyethoxy)benzamide
CID 18406774
3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide
CID 23117228
N-[(2S,3S)-3-(3,4-diethoxyphenyl)-1-methylpiperidin-2-yl]-4-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]benzamide
CID 20637944
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(4-nitrobenzoyl)benzamide
CID 18406743
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-1,3-benzodioxole-5-carboxamide
CID 18403991
N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3,5-dinitrobenzamide
CID 87855420
N-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 70099471
3-benzoyl-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]benzamide
CID 18406745
ethyl 3-[[2-(3,4-dimethoxyphenyl)cyclohexyl]amino]-3-oxopropanoate
CID 69492937

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide (CID 18621298) is N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide is CCn1nnc(-c2ccc(C(=O)NC3CCCCC3c3ccc(OC)c(OC)c3)cc2)n1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide?
The InChIKey is FEWOIZJGLIFICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-4-29-27-23(26-28-29)16-9-11-17(12-10-16)24(30)25-20-8-6-5-7-19(20)18-13-14-21(31-2)22(15-18)32-3/h9-15,19-20H,4-8H2,1-3H3,(H,25,30).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide?
N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide has a molecular weight of 435.53 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-(2-ethyltetrazol-5-yl)benzamide is sourced from PubChem (CID 18621298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).