2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide

C20H30N2O2 — CID 119721040

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
SMILESCOc1ccc(CCC(C)NC(=O)CC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C20H30N2O2/c1-14(3-4-15-5-9-19(24-2)10-6-15)21-20(23)13-16-11-17-7-8-18(12-16)22-17/h5-6,9-10,14,16-18,22H,3-4,7-8,11-13H2,1-2H3,(H,21,23)
InChIKeyKNHDMDOGKWVJQS-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.05
Rot. Bonds7

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide (PubChem CID 119721040) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
PubChem CID119721040
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
SMILESCOc1ccc(CCC(C)NC(=O)CC2CC3CCC(C2)N3)cc1
InChIInChI=1S/C20H30N2O2/c1-14(3-4-15-5-9-19(24-2)10-6-15)21-20(23)13-16-11-17-7-8-18(12-16)22-17/h5-6,9-10,14,16-18,22H,3-4,7-8,11-13H2,1-2H3,(H,21,23)
InChIKeyKNHDMDOGKWVJQS-UHFFFAOYSA-N
XLogP3.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 99775305
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
CID 119777156
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 91643966
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methoxybutan-2-yl)acetamide
CID 79615755
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-methoxyphenyl)butyl]acetamide
CID 119799836
2-amino-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide
CID 119288095
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691822
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]acetamide;hydrochloride
CID 119753125
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methylhexan-2-yl)acetamide;hydrochloride
CID 119674904
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
CID 79608095
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[bis(3-methoxyphenyl)methyl]acetamide
CID 119812625
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid
CID 79615753

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide (CID 119721040) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide is COc1ccc(CCC(C)NC(=O)CC2CC3CCC(C2)N3)cc1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide?
The InChIKey is KNHDMDOGKWVJQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-14(3-4-15-5-9-19(24-2)10-6-15)21-20(23)13-16-11-17-7-8-18(12-16)22-17/h5-6,9-10,14,16-18,22H,3-4,7-8,11-13H2,1-2H3,(H,21,23).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide has a molecular weight of 330.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(4-methoxyphenyl)butan-2-yl]acetamide is sourced from PubChem (CID 119721040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).