(2S)-N-[(2S)-1-phenoxypropan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

C22H27NO3 — CID 100502077

IUPAC(2S)-N-[(2S)-1-phenoxypropan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESC[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@@H](C)COc1ccccc1
InChIInChI=1S/C22H27NO3/c1-16(15-25-19-11-4-3-5-12-19)23-22(24)17(2)26-21-14-8-10-18-9-6-7-13-20(18)21/h3-5,8,10-12,14,16-17H,6-7,9,13,15H2,1-2H3,(H,23,24)/t16-,17-/m0/s1
InChIKeyHILLDWNKYHSUBQ-IRXDYDNUSA-N
MW353.46 g/mol
LogP3.92
Rot. Bonds7

About (2S)-N-[(2S)-1-phenoxypropan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

(2S)-N-[(2S)-1-phenoxypropan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (PubChem CID 100502077) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is (2S)-N-[(2S)-1-phenoxypropan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-1-phenoxypropan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
PubChem CID100502077
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name(2S)-N-[(2S)-1-phenoxypropan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESC[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@@H](C)COc1ccccc1
InChIInChI=1S/C22H27NO3/c1-16(15-25-19-11-4-3-5-12-19)23-22(24)17(2)26-21-14-8-10-18-9-6-7-13-20(18)21/h3-5,8,10-12,14,16-17H,6-7,9,13,15H2,1-2H3,(H,23,24)/t16-,17-/m0/s1
InChIKeyHILLDWNKYHSUBQ-IRXDYDNUSA-N
XLogP3.92
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methyl-1-phenylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133184885
N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133161578
(2R)-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100734384
N-(3-phenylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133261915
N-[2-(4-chlorophenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133164804
(2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100709443
N-[2-(4-ethylphenoxy)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133234673
(2R)-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]-2-phenoxypropanamide
CID 94623488
N-[1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133202296
(2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100756989
N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133184465
N-(cyclohexylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133185624

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-1-phenoxypropan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The IUPAC name of (2S)-N-[(2S)-1-phenoxypropan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (CID 100502077) is (2S)-N-[(2S)-1-phenoxypropan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.
What is the SMILES notation for (2S)-N-[(2S)-1-phenoxypropan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The canonical SMILES for (2S)-N-[(2S)-1-phenoxypropan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@@H](C)COc1ccccc1.
What is the InChIKey of (2S)-N-[(2S)-1-phenoxypropan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The InChIKey is HILLDWNKYHSUBQ-IRXDYDNUSA-N. The full InChI is InChI=1S/C22H27NO3/c1-16(15-25-19-11-4-3-5-12-19)23-22(24)17(2)26-21-14-8-10-18-9-6-7-13-20(18)21/h3-5,8,10-12,14,16-17H,6-7,9,13,15H2,1-2H3,(H,23,24)/t16-,17-/m0/s1.
What are the key properties of (2S)-N-[(2S)-1-phenoxypropan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
(2S)-N-[(2S)-1-phenoxypropan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide has a molecular weight of 353.46 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-1-phenoxypropan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is sourced from PubChem (CID 100502077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).