(2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide

C21H27NO3 — CID 40855971

IUPAC(2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide
SMILESCOc1ccc2ccc(O[C@@H](C)C(=O)NC3CCCCCC3)cc2c1
InChIInChI=1S/C21H27NO3/c1-15(21(23)22-18-7-5-3-4-6-8-18)25-20-12-10-16-9-11-19(24-2)13-17(16)14-20/h9-15,18H,3-8H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKeyPMEFISHCTRZLNQ-HNNXBMFYSA-N
MW341.45 g/mol
LogP4.45
Rot. Bonds5

About (2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide

(2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide (PubChem CID 40855971) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide.

Molecular Properties

Compound Name(2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide
PubChem CID40855971
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name(2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide
SMILESCOc1ccc2ccc(O[C@@H](C)C(=O)NC3CCCCCC3)cc2c1
InChIInChI=1S/C21H27NO3/c1-15(21(23)22-18-7-5-3-4-6-8-18)25-20-12-10-16-9-11-19(24-2)13-17(16)14-20/h9-15,18H,3-8H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKeyPMEFISHCTRZLNQ-HNNXBMFYSA-N
XLogP4.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 7865701
(2S)-N-cyclopropyl-2-naphthalen-2-yloxypropanamide
CID 42561249
1-cyclohexyl-3-(2-naphthalen-2-yloxypropanoylamino)urea
CID 4940226
2-(3-bromo-4-fluorophenoxy)-N-cyclopentylpropanamide
CID 83233705
methyl 4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoate
CID 17462378
2-(4-methoxyphenoxy)-N-(4-methylcyclohexyl)propanamide
CID 51326792
N-cyclooctyl-2-(4-fluorophenoxy)propanamide
CID 42909316
(2R)-N-cycloheptyl-2-phenoxypropanamide
CID 669971
N-cyclododecyl-2-(3-methylphenoxy)propanamide
CID 3912808
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
4-[1-(cyclohexylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 43084651
N-cyclooctyl-2-(3-methylphenoxy)propanamide
CID 2976571

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide?
The IUPAC name of (2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide (CID 40855971) is (2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide.
What is the SMILES notation for (2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide?
The canonical SMILES for (2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide is COc1ccc2ccc(O[C@@H](C)C(=O)NC3CCCCCC3)cc2c1.
What is the InChIKey of (2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide?
The InChIKey is PMEFISHCTRZLNQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-15(21(23)22-18-7-5-3-4-6-8-18)25-20-12-10-16-9-11-19(24-2)13-17(16)14-20/h9-15,18H,3-8H2,1-2H3,(H,22,23)/t15-/m0/s1.
What are the key properties of (2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide?
(2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide has a molecular weight of 341.45 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cycloheptyl-2-(7-methoxynaphthalen-2-yl)oxypropanamide is sourced from PubChem (CID 40855971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).