4-(N-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)-N,N-diethylbenzamide

C30H41N3O — CID 10139424

IUPAC4-(N-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2ccccc2)C2CC3CCC(C2)N3C2CCCCC2)cc1
InChIInChI=1S/C30H41N3O/c1-3-31(4-2)30(34)23-15-17-26(18-16-23)32(24-11-7-5-8-12-24)29-21-27-19-20-28(22-29)33(27)25-13-9-6-10-14-25/h5,7-8,11-12,15-18,25,27-29H,3-4,6,9-10,13-14,19-22H2,1-2H3
InChIKeyJYOSRCIINPVTSJ-UHFFFAOYSA-N
MW459.68 g/mol
LogP6.63
Rot. Bonds7

About 4-(N-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)-N,N-diethylbenzamide

4-(N-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)-N,N-diethylbenzamide (PubChem CID 10139424) has the molecular formula C30H41N3O and a molecular weight of 459.68 g/mol. Its IUPAC name is 4-(N-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-(N-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)-N,N-diethylbenzamide
PubChem CID10139424
Molecular FormulaC30H41N3O
Molecular Weight459.68 g/mol
Exact Mass459.32
IUPAC Name4-(N-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(N(c2ccccc2)C2CC3CCC(C2)N3C2CCCCC2)cc1
InChIInChI=1S/C30H41N3O/c1-3-31(4-2)30(34)23-15-17-26(18-16-23)32(24-11-7-5-8-12-24)29-21-27-19-20-28(22-29)33(27)25-13-9-6-10-14-25/h5,7-8,11-12,15-18,25,27-29H,3-4,6,9-10,13-14,19-22H2,1-2H3
InChIKeyJYOSRCIINPVTSJ-UHFFFAOYSA-N
XLogP6.63
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.68
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(N-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)-N,N-diethylbenzamide with MolForge

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Related Compounds

4-(N-[(1R,5S)-8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]anilino)-N,N-diethylbenzamide
CID 101062548
N,N-diethyl-4-(N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-methylsulfanylanilino)benzamide;hydrochloride
CID 70214607
3-(N-[(1R,5S)-9-cyclooctyl-9-azabicyclo[3.3.1]nonan-3-yl]anilino)-3-oxopropanoic acid
CID 90268724
4-(N-[(1R,5S)-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]anilino)benzoic acid;hydrochloride
CID 70213507
N,N-diethyl-4-[naphthalen-2-yl(piperidin-4-yl)amino]benzamide
CID 12988887
N,N-diethyl-4-(3-hydroxy-N-[1-(2-phenylpropyl)piperidin-4-yl]anilino)benzamide
CID 45486062
4-(N-[(2R,4S,5S)-2,5-dimethyl-1-prop-2-enylpiperidin-4-yl]anilino)-N,N-diethylbenzamide
CID 10716975
4-(N-[(2S,4R,5R)-2,5-dimethyl-1-prop-2-enylpiperidin-4-yl]anilino)-N,N-diethylbenzamide
CID 101103650
4-(N-[(2R,4S,5R)-2,5-dimethyl-1-prop-2-enylpiperidin-4-yl]anilino)-N,N-diethylbenzamide
CID 101103658
4-(N-[(2S,4S,5R)-2,5-dimethyl-1-prop-2-enylpiperidin-4-yl]anilino)-N,N-diethylbenzamide
CID 101103649
4-(N-[(3S,4R)-1-[(E)-but-2-enyl]-3-methylpiperidin-4-yl]anilino)-N,N-diethylbenzamide
CID 71450906
CID 174412487
CID 174412487

Frequently Asked Questions

What is the IUPAC name of 4-(N-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)-N,N-diethylbenzamide?
The IUPAC name of 4-(N-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)-N,N-diethylbenzamide (CID 10139424) is 4-(N-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)-N,N-diethylbenzamide.
What is the SMILES notation for 4-(N-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)-N,N-diethylbenzamide?
The canonical SMILES for 4-(N-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(N(c2ccccc2)C2CC3CCC(C2)N3C2CCCCC2)cc1.
What is the InChIKey of 4-(N-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)-N,N-diethylbenzamide?
The InChIKey is JYOSRCIINPVTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O/c1-3-31(4-2)30(34)23-15-17-26(18-16-23)32(24-11-7-5-8-12-24)29-21-27-19-20-28(22-29)33(27)25-13-9-6-10-14-25/h5,7-8,11-12,15-18,25,27-29H,3-4,6,9-10,13-14,19-22H2,1-2H3.
What are the key properties of 4-(N-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)-N,N-diethylbenzamide?
4-(N-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)-N,N-diethylbenzamide has a molecular weight of 459.68 g/mol, XLogP of 6.63, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-(8-cyclohexyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)-N,N-diethylbenzamide is sourced from PubChem (CID 10139424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).