4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide

C20H29N3O3 — CID 160583776

IUPAC4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide
SMILESCOCCCCc1cc(C(=O)NC2CC3CCC(C2)N3)ccc1C(N)=O
InChIInChI=1S/C20H29N3O3/c1-26-9-3-2-4-13-10-14(5-8-18(13)19(21)24)20(25)23-17-11-15-6-7-16(12-17)22-15/h5,8,10,15-17,22H,2-4,6-7,9,11-12H2,1H3,(H2,21,24)(H,23,25)
InChIKeyGANYEYHBNLKYLK-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.77
Rot. Bonds8

About 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide

4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide (PubChem CID 160583776) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide
PubChem CID160583776
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide
SMILESCOCCCCc1cc(C(=O)NC2CC3CCC(C2)N3)ccc1C(N)=O
InChIInChI=1S/C20H29N3O3/c1-26-9-3-2-4-13-10-14(5-8-18(13)19(21)24)20(25)23-17-11-15-6-7-16(12-17)22-15/h5,8,10,15-17,22H,2-4,6-7,9,11-12H2,1H3,(H2,21,24)(H,23,25)
InChIKeyGANYEYHBNLKYLK-UHFFFAOYSA-N
XLogP1.77
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-(2-methoxyethoxymethyl)benzamide;hydrochloride
CID 119456779
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dipropoxybenzamide
CID 119458823
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride
CID 119456286
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285092
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,4-dichlorobenzamide
CID 61238974
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide
CID 61238980
N-(8-azabicyclo[3.2.1]octan-3-yl)quinoxaline-6-carboxamide
CID 62876064
N-(8-azabicyclo[3.2.1]octan-3-yl)-3,5-dimethoxybenzamide;hydrochloride
CID 119455135
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119459167
4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide
CID 119456323
1-acetyl-N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3-dihydroindole-5-carboxamide
CID 119260114

Frequently Asked Questions

What is the IUPAC name of 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide (CID 160583776) is 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide is COCCCCc1cc(C(=O)NC2CC3CCC(C2)N3)ccc1C(N)=O.
What is the InChIKey of 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide?
The InChIKey is GANYEYHBNLKYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-26-9-3-2-4-13-10-14(5-8-18(13)19(21)24)20(25)23-17-11-15-6-7-16(12-17)22-15/h5,8,10,15-17,22H,2-4,6-7,9,11-12H2,1H3,(H2,21,24)(H,23,25).
What are the key properties of 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide?
4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.77, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxybutyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 160583776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).