N-(3-methyl-1-phenylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

C24H31NO2 — CID 133184885

IUPACN-(3-methyl-1-phenylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCC(C)CC(NC(=O)C(C)Oc1cccc2c1CCCC2)c1ccccc1
InChIInChI=1S/C24H31NO2/c1-17(2)16-22(20-11-5-4-6-12-20)25-24(26)18(3)27-23-15-9-13-19-10-7-8-14-21(19)23/h4-6,9,11-13,15,17-18,22H,7-8,10,14,16H2,1-3H3,(H,25,26)
InChIKeyCQAAYWPXLLFBMF-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.24
Rot. Bonds7

About N-(3-methyl-1-phenylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

N-(3-methyl-1-phenylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (PubChem CID 133184885) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-(3-methyl-1-phenylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.

Molecular Properties

Compound NameN-(3-methyl-1-phenylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
PubChem CID133184885
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC NameN-(3-methyl-1-phenylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCC(C)CC(NC(=O)C(C)Oc1cccc2c1CCCC2)c1ccccc1
InChIInChI=1S/C24H31NO2/c1-17(2)16-22(20-11-5-4-6-12-20)25-24(26)18(3)27-23-15-9-13-19-10-7-8-14-21(19)23/h4-6,9,11-13,15,17-18,22H,7-8,10,14,16H2,1-3H3,(H,25,26)
InChIKeyCQAAYWPXLLFBMF-UHFFFAOYSA-N
XLogP5.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133202296
(2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100709443
(2S)-N-[(2S)-1-phenoxypropan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100502077
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
(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide
CID 41198910
(2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 94013029
(2R)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 100544151
N-(cyclohexylmethyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133185624
N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133184465
(2R)-N-prop-2-enyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100756989

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The IUPAC name of N-(3-methyl-1-phenylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (CID 133184885) is N-(3-methyl-1-phenylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.
What is the SMILES notation for N-(3-methyl-1-phenylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The canonical SMILES for N-(3-methyl-1-phenylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is CC(C)CC(NC(=O)C(C)Oc1cccc2c1CCCC2)c1ccccc1.
What is the InChIKey of N-(3-methyl-1-phenylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The InChIKey is CQAAYWPXLLFBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-17(2)16-22(20-11-5-4-6-12-20)25-24(26)18(3)27-23-15-9-13-19-10-7-8-14-21(19)23/h4-6,9,11-13,15,17-18,22H,7-8,10,14,16H2,1-3H3,(H,25,26).
What are the key properties of N-(3-methyl-1-phenylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
N-(3-methyl-1-phenylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide has a molecular weight of 365.52 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is sourced from PubChem (CID 133184885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).