(2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclooctylamino)propanamide

C18H27ClN2O2 — CID 7509630

IUPAC(2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclooctylamino)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H](C)NC1CCCCCCC1
InChIInChI=1S/C18H27ClN2O2/c1-13(20-15-8-6-4-3-5-7-9-15)18(22)21-16-12-14(19)10-11-17(16)23-2/h10-13,15,20H,3-9H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyVZMHHFCPKZCUBT-CYBMUJFWSA-N
MW338.88 g/mol
LogP4.38
Rot. Bonds5

About (2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclooctylamino)propanamide

(2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclooctylamino)propanamide (PubChem CID 7509630) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclooctylamino)propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclooctylamino)propanamide
PubChem CID7509630
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC Name(2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclooctylamino)propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H](C)NC1CCCCCCC1
InChIInChI=1S/C18H27ClN2O2/c1-13(20-15-8-6-4-3-5-7-9-15)18(22)21-16-12-14(19)10-11-17(16)23-2/h10-13,15,20H,3-9H2,1-2H3,(H,21,22)/t13-/m1/s1
InChIKeyVZMHHFCPKZCUBT-CYBMUJFWSA-N
XLogP4.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclohexylamino)propanamide
CID 40602408
1-(5-chloro-2-methoxyphenyl)-3-cyclododecylurea
CID 108875500
2-(5-chloro-2-methoxyanilino)-N-cyclohexylpropanamide
CID 43083885
N-(5-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-1-ylamino)propanamide
CID 42887654
(2R)-2-(cyclohexylamino)-N-(3,5-dichlorophenyl)propanamide
CID 2493886
3-(5-chloro-2-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550581
(2S)-2-amino-N-(5-chloro-2-methoxyphenyl)propanamide;hydrochloride
CID 119262144
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4,5-dimethoxy-2-methylanilino)propanamide
CID 30376996
4-[(5-chloro-2-methoxyphenyl)carbamoylamino]-N-cyclopentylbenzamide
CID 17180685
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide
CID 7590323
N'-(5-chloro-2-methoxyphenyl)-N-cyclopropyloxamide
CID 2194402
N-(5-chloro-2-methoxyphenyl)-6-(cyclohexylamino)pyridazine-3-carboxamide
CID 109112915

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclooctylamino)propanamide?
The IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclooctylamino)propanamide (CID 7509630) is (2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclooctylamino)propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclooctylamino)propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclooctylamino)propanamide is COc1ccc(Cl)cc1NC(=O)[C@@H](C)NC1CCCCCCC1.
What is the InChIKey of (2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclooctylamino)propanamide?
The InChIKey is VZMHHFCPKZCUBT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-13(20-15-8-6-4-3-5-7-9-15)18(22)21-16-12-14(19)10-11-17(16)23-2/h10-13,15,20H,3-9H2,1-2H3,(H,21,22)/t13-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclooctylamino)propanamide?
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclooctylamino)propanamide has a molecular weight of 338.88 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-methoxyphenyl)-2-(cyclooctylamino)propanamide is sourced from PubChem (CID 7509630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).