N-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide

C24H27NO2 — CID 17328429

IUPACN-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)NC(CC)c1ccc(C)cc1
InChIInChI=1S/C24H27NO2/c1-4-22(19-12-10-17(3)11-13-19)25-24(26)23(5-2)27-21-15-14-18-8-6-7-9-20(18)16-21/h6-16,22-23H,4-5H2,1-3H3,(H,25,26)
InChIKeyYCHZTOACCVVINN-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.57
Rot. Bonds7

About N-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide

N-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 17328429) has the molecular formula C24H27NO2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
PubChem CID17328429
Molecular FormulaC24H27NO2
Molecular Weight361.49 g/mol
Exact Mass361.20
IUPAC NameN-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)NC(CC)c1ccc(C)cc1
InChIInChI=1S/C24H27NO2/c1-4-22(19-12-10-17(3)11-13-19)25-24(26)23(5-2)27-21-15-14-18-8-6-7-9-20(18)16-21/h6-16,22-23H,4-5H2,1-3H3,(H,25,26)
InChIKeyYCHZTOACCVVINN-UHFFFAOYSA-N
XLogP5.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide
CID 28636082
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
CID 92682628
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide
CID 7373963
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 28575311
N-[(4-methylphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 43876560
2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide
CID 17328424
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 38019155
(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 92683395
(2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132381
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99131462
N-(2,4-dimethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284433
(2R)-2-naphthalen-2-yloxy-N-(2,4,6-trimethylphenyl)butanamide
CID 28635759

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of N-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide (CID 17328429) is N-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for N-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for N-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide is CCC(Oc1ccc2ccccc2c1)C(=O)NC(CC)c1ccc(C)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is YCHZTOACCVVINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2/c1-4-22(19-12-10-17(3)11-13-19)25-24(26)23(5-2)27-21-15-14-18-8-6-7-9-20(18)16-21/h6-16,22-23H,4-5H2,1-3H3,(H,25,26).
What are the key properties of N-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide?
N-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide has a molecular weight of 361.49 g/mol, XLogP of 5.57, 7 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-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 17328429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).