(3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide

C20H30N2O3 — CID 51622723

IUPAC(3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)NC2CCCCCCC2)NC(C)=O)cc1
InChIInChI=1S/C20H30N2O3/c1-15(23)21-19(16-10-12-18(25-2)13-11-16)14-20(24)22-17-8-6-4-3-5-7-9-17/h10-13,17,19H,3-9,14H2,1-2H3,(H,21,23)(H,22,24)/t19-/m1/s1
InChIKeyUASCLGHTTYVAAK-LJQANCHMSA-N
MW346.47 g/mol
LogP3.49
Rot. Bonds6

About (3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide

(3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide (PubChem CID 51622723) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name(3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide
PubChem CID51622723
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc([C@@H](CC(=O)NC2CCCCCCC2)NC(C)=O)cc1
InChIInChI=1S/C20H30N2O3/c1-15(23)21-19(16-10-12-18(25-2)13-11-16)14-20(24)22-17-8-6-4-3-5-7-9-17/h10-13,17,19H,3-9,14H2,1-2H3,(H,21,23)(H,22,24)/t19-/m1/s1
InChIKeyUASCLGHTTYVAAK-LJQANCHMSA-N
XLogP3.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-acetamido-N-[(R)-cyclopentyl-(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 51951548
(3S)-3-acetamido-N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 51951550
3-acetamido-N-[1-(2,5-dioxopyrrolidin-3-yl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 167957375
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-methylsulfonylpropanamide
CID 95133505
N-cyclopentyl-3-[1-(4-methoxyphenyl)propylcarbamoylamino]propanamide
CID 60569995
3-acetamido-N-(1-adamantylmethyl)-3-(4-methoxyphenyl)propanamide
CID 42887045
(2-ethylcyclohexyl) 3-acetamido-3-(4-methoxyphenyl)propanoate
CID 78835716
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638
N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 10774699
N-cyclohexyl-3-(4-methoxyphenoxy)propanamide
CID 974927
(3S)-3-acetamido-3-(4-methoxyphenyl)-N-pyridin-2-ylpropanamide
CID 29466251

Frequently Asked Questions

What is the IUPAC name of (3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide?
The IUPAC name of (3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide (CID 51622723) is (3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for (3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for (3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide is COc1ccc([C@@H](CC(=O)NC2CCCCCCC2)NC(C)=O)cc1.
What is the InChIKey of (3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide?
The InChIKey is UASCLGHTTYVAAK-LJQANCHMSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(23)21-19(16-10-12-18(25-2)13-11-16)14-20(24)22-17-8-6-4-3-5-7-9-17/h10-13,17,19H,3-9,14H2,1-2H3,(H,21,23)(H,22,24)/t19-/m1/s1.
What are the key properties of (3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide?
(3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide has a molecular weight of 346.47 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-acetamido-N-cyclooctyl-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 51622723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).