N-[1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

C23H29NO2 — CID 133202296

IUPACN-[1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCCC(NC(=O)C(C)Oc1cccc2c1CCCC2)c1ccc(C)cc1
InChIInChI=1S/C23H29NO2/c1-4-21(19-14-12-16(2)13-15-19)24-23(25)17(3)26-22-11-7-9-18-8-5-6-10-20(18)22/h7,9,11-15,17,21H,4-6,8,10H2,1-3H3,(H,24,25)
InChIKeyVHIGLJJFTIAYKP-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.91
Rot. Bonds6

About N-[1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide

N-[1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (PubChem CID 133202296) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
PubChem CID133202296
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC NameN-[1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
SMILESCCC(NC(=O)C(C)Oc1cccc2c1CCCC2)c1ccc(C)cc1
InChIInChI=1S/C23H29NO2/c1-4-21(19-14-12-16(2)13-15-19)24-23(25)17(3)26-22-11-7-9-18-8-5-6-10-20(18)22/h7,9,11-15,17,21H,4-6,8,10H2,1-3H3,(H,24,25)
InChIKeyVHIGLJJFTIAYKP-UHFFFAOYSA-N
XLogP4.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 92673641
N-(3-methyl-1-phenylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133184885
N-[(1R)-1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)acetamide
CID 100681308
(2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 28632091
(2R)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 92675498
(2R)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 92675499
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
(2R)-N-[(R)-(3-methylphenyl)-phenylmethyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100709443
(2R)-N-(2-ethyl-6-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100682201
(2S)-2-(2-methylphenoxy)-N-[(1R)-1-phenylpropyl]propanamide
CID 93234565
(2S)-N-[(2S)-1-phenoxypropan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100502077

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide (CID 133202296) is N-[1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is CCC(NC(=O)C(C)Oc1cccc2c1CCCC2)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
The InChIKey is VHIGLJJFTIAYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-4-21(19-14-12-16(2)13-15-19)24-23(25)17(3)26-22-11-7-9-18-8-5-6-10-20(18)22/h7,9,11-15,17,21H,4-6,8,10H2,1-3H3,(H,24,25).
What are the key properties of N-[1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide?
N-[1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide has a molecular weight of 351.49 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide is sourced from PubChem (CID 133202296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).