2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide

C19H26N2O3 — CID 98545136

IUPAC2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1
InChIInChI=1S/C19H26N2O3/c1-21(19(23)10-15-9-13-6-7-14(15)8-13)12-18(22)20-16-4-3-5-17(11-16)24-2/h3-5,11,13-15H,6-10,12H2,1-2H3,(H,20,22)/t13-,14-,15+/m0/s1
InChIKeyMQVVVEDVFBQHEF-SOUVJXGZSA-N
MW330.43 g/mol
LogP2.92
Rot. Bonds6

About 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide

2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 98545136) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID98545136
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1
InChIInChI=1S/C19H26N2O3/c1-21(19(23)10-15-9-13-6-7-14(15)8-13)12-18(22)20-16-4-3-5-17(11-16)24-2/h3-5,11,13-15H,6-10,12H2,1-2H3,(H,20,22)/t13-,14-,15+/m0/s1
InChIKeyMQVVVEDVFBQHEF-SOUVJXGZSA-N
XLogP2.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide 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-(3-methoxyanilino)-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 18558224
[2-(3-methoxyanilino)-2-oxoethyl] 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11923720
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 11943982
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 11919743
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethoxyphenyl)acetamide
CID 7772878
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 11945709
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 98752000
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 9006710
N-(3-acetamidophenyl)-2-(2-bicyclo[2.2.1]heptanyl)acetamide
CID 18074570
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 39975440
2-[(2-tert-butylcyclohexyl)amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
CID 56570222

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide (CID 98545136) is 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide is COc1cccc(NC(=O)CN(C)C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1.
What is the InChIKey of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is MQVVVEDVFBQHEF-SOUVJXGZSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-21(19(23)10-15-9-13-6-7-14(15)8-13)12-18(22)20-16-4-3-5-17(11-16)24-2/h3-5,11,13-15H,6-10,12H2,1-2H3,(H,20,22)/t13-,14-,15+/m0/s1.
What are the key properties of 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 330.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 98545136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).