(2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

C22H27NO3 — CID 100753046

IUPAC(2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C22H27NO3/c1-15(20-10-6-7-11-21(20)25-3)23-22(24)16(2)26-19-13-12-17-8-4-5-9-18(17)14-19/h6-7,10-16H,4-5,8-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1
InChIKeyOZVMBKDLUMMLND-HZPDHXFCSA-N
MW353.46 g/mol
LogP4.22
Rot. Bonds6

About (2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

(2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (PubChem CID 100753046) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
PubChem CID100753046
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name(2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C22H27NO3/c1-15(20-10-6-7-11-21(20)25-3)23-22(24)16(2)26-19-13-12-17-8-4-5-9-18(17)14-19/h6-7,10-16H,4-5,8-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1
InChIKeyOZVMBKDLUMMLND-HZPDHXFCSA-N
XLogP4.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 29459815
2-(2-methoxyphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 133190824
2-(3,5-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133199746
(2R)-2-(4-tert-butylphenoxy)-N-[(1R)-1-(2-methoxyphenyl)ethyl]propanamide
CID 100554032
N-(2,4-dimethylpentan-3-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133185841
N-[1-(4-methylphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187740
N-[(2-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133162624
N-(2,4-dimethoxyphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133187208
2-(4-fluorophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propanamide
CID 133190649
(2S)-N-[(1S)-1-phenylpropyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100672901
(2R)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558239
(2S)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558253

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The IUPAC name of (2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (CID 100753046) is (2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The canonical SMILES for (2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2.
What is the InChIKey of (2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The InChIKey is OZVMBKDLUMMLND-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H27NO3/c1-15(20-10-6-7-11-21(20)25-3)23-22(24)16(2)26-19-13-12-17-8-4-5-9-18(17)14-19/h6-7,10-16H,4-5,8-9H2,1-3H3,(H,23,24)/t15-,16-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
(2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide has a molecular weight of 353.46 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is sourced from PubChem (CID 100753046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).