N-cyclooctyl-2-[[(1S)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]acetamide

C19H31N3O2 — CID 95136390

IUPACN-cyclooctyl-2-[[(1S)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]acetamide
SMILESCOC[C@H](c1ccccn1)N(C)CC(=O)NC1CCCCCCC1
InChIInChI=1S/C19H31N3O2/c1-22(18(15-24-2)17-12-8-9-13-20-17)14-19(23)21-16-10-6-4-3-5-7-11-16/h8-9,12-13,16,18H,3-7,10-11,14-15H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyDXXJSQIXHAQWKU-GOSISDBHSA-N
MW333.48 g/mol
LogP2.93
Rot. Bonds7

About N-cyclooctyl-2-[[(1S)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]acetamide

N-cyclooctyl-2-[[(1S)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]acetamide (PubChem CID 95136390) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-cyclooctyl-2-[[(1S)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-[[(1S)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]acetamide
PubChem CID95136390
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC NameN-cyclooctyl-2-[[(1S)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]acetamide
SMILESCOC[C@H](c1ccccn1)N(C)CC(=O)NC1CCCCCCC1
InChIInChI=1S/C19H31N3O2/c1-22(18(15-24-2)17-12-8-9-13-20-17)14-19(23)21-16-10-6-4-3-5-7-11-16/h8-9,12-13,16,18H,3-7,10-11,14-15H2,1-2H3,(H,21,23)/t18-/m1/s1
InChIKeyDXXJSQIXHAQWKU-GOSISDBHSA-N
XLogP2.93
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclooctyl-2-[[(1S)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]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)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]-1-morpholin-4-ylethanone
CID 124848970
(1S)-N-[(2-cyclopentyloxyphenyl)methyl]-2-methoxy-N-methyl-1-pyridin-2-ylethanamine
CID 99948017
1-(2,3-dihydroindol-1-yl)-2-[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]ethanone
CID 91831700
N-cyclohexyl-2-pyridin-2-ylbutanamide
CID 21278990
N-cycloheptyl-2-[methyl-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]amino]acetamide
CID 124850332
2-[acetyl(pyridin-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 113163426
2-methoxy-N-methyl-N-(2-phenoxyethyl)-1-pyridin-2-ylethanamine
CID 91835024
N-(1H-imidazol-2-ylmethyl)-2-methoxy-N-methyl-1-pyridin-2-ylethanamine
CID 50957317
1-cyclohexyl-3-(dipyridin-2-ylmethyl)urea
CID 11225540
1-(2-methoxy-1-pyridin-2-ylethyl)-1-methyl-3-[2-(piperidin-1-ylmethyl)phenyl]urea
CID 72899411
2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
3-[[(2-methoxy-1-pyridin-2-ylethyl)-methylamino]methyl]phenol
CID 131894922

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-[[(1S)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]acetamide?
The IUPAC name of N-cyclooctyl-2-[[(1S)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]acetamide (CID 95136390) is N-cyclooctyl-2-[[(1S)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]acetamide.
What is the SMILES notation for N-cyclooctyl-2-[[(1S)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]acetamide?
The canonical SMILES for N-cyclooctyl-2-[[(1S)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]acetamide is COC[C@H](c1ccccn1)N(C)CC(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-[[(1S)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]acetamide?
The InChIKey is DXXJSQIXHAQWKU-GOSISDBHSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-22(18(15-24-2)17-12-8-9-13-20-17)14-19(23)21-16-10-6-4-3-5-7-11-16/h8-9,12-13,16,18H,3-7,10-11,14-15H2,1-2H3,(H,21,23)/t18-/m1/s1.
What are the key properties of N-cyclooctyl-2-[[(1S)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]acetamide?
N-cyclooctyl-2-[[(1S)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]acetamide has a molecular weight of 333.48 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-[[(1S)-2-methoxy-1-pyridin-2-ylethyl]-methylamino]acetamide is sourced from PubChem (CID 95136390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).