N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]butanamide

C22H34N2O2 — CID 71124690

IUPACN-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]butanamide
SMILESCCCC(=O)NC1CC2CCC(C1)N2C(C)c1ccc(OC)c(C)c1C
InChIInChI=1S/C22H34N2O2/c1-6-7-22(25)23-17-12-18-8-9-19(13-17)24(18)16(4)20-10-11-21(26-5)15(3)14(20)2/h10-11,16-19H,6-9,12-13H2,1-5H3,(H,23,25)
InChIKeyWCUCQCYFTGNITO-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.28
Rot. Bonds6

About N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]butanamide

N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]butanamide (PubChem CID 71124690) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]butanamide.

Molecular Properties

Compound NameN-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]butanamide
PubChem CID71124690
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]butanamide
SMILESCCCC(=O)NC1CC2CCC(C1)N2C(C)c1ccc(OC)c(C)c1C
InChIInChI=1S/C22H34N2O2/c1-6-7-22(25)23-17-12-18-8-9-19(13-17)24(18)16(4)20-10-11-21(26-5)15(3)14(20)2/h10-11,16-19H,6-9,12-13H2,1-5H3,(H,23,25)
InChIKeyWCUCQCYFTGNITO-UHFFFAOYSA-N
XLogP4.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-methylthiadiazole-5-carboxamide
CID 71124533
N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide
CID 71124807
6-fluoro-N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-2-carboxamide
CID 71124681
N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
CID 143623101
3-chloro-N-[8-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxybenzamide
CID 143623398
5-ethynyl-N-[8-[1-[4-(2-methoxyethoxy)-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxamide
CID 24966612
N-[8-[1-[4-[4-(dimethylamino)butoxy]-2,3-dimethylphenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 143623404
N-[9-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ylidene]hydroxylamine
CID 87726747
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
2-cyclohexyl-N-[[1-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]azetidin-3-yl]methyl]acetamide
CID 71124951
N-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-3-(methylamino)propanamide
CID 112514935
N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]butanamide
CID 110820607

Frequently Asked Questions

What is the IUPAC name of N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]butanamide?
The IUPAC name of N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]butanamide (CID 71124690) is N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]butanamide.
What is the SMILES notation for N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]butanamide?
The canonical SMILES for N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]butanamide is CCCC(=O)NC1CC2CCC(C1)N2C(C)c1ccc(OC)c(C)c1C.
What is the InChIKey of N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]butanamide?
The InChIKey is WCUCQCYFTGNITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-6-7-22(25)23-17-12-18-8-9-19(13-17)24(18)16(4)20-10-11-21(26-5)15(3)14(20)2/h10-11,16-19H,6-9,12-13H2,1-5H3,(H,23,25).
What are the key properties of N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]butanamide?
N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]butanamide has a molecular weight of 358.53 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]butanamide is sourced from PubChem (CID 71124690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).