N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide

C27H33NO3 — CID 133217309

IUPACN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)NC(C)c1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C27H33NO3/c1-7-25(31-22-13-12-20-10-8-9-11-21(20)15-22)27(29)28-19(5)24-16-23(17(2)3)26(30-6)14-18(24)4/h8-17,19,25H,7H2,1-6H3,(H,28,29)
InChIKeyREOJBBWOFDWEDZ-UHFFFAOYSA-N
MW419.57 g/mol
LogP6.32
Rot. Bonds8

About N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide

N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 133217309) has the molecular formula C27H33NO3 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
PubChem CID133217309
Molecular FormulaC27H33NO3
Molecular Weight419.57 g/mol
Exact Mass419.25
IUPAC NameN-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
SMILESCCC(Oc1ccc2ccccc2c1)C(=O)NC(C)c1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C27H33NO3/c1-7-25(31-22-13-12-20-10-8-9-11-21(20)15-22)27(29)28-19(5)24-16-23(17(2)3)26(30-6)14-18(24)4/h8-17,19,25H,7H2,1-6H3,(H,28,29)
InChIKeyREOJBBWOFDWEDZ-UHFFFAOYSA-N
XLogP6.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.57
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenoxy)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]butanamide
CID 133217502
(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
2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 133262253
2-(4-ethylphenoxy)-N-[1-(2,4,5-trimethylphenyl)ethyl]butanamide
CID 133220360
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 28631604
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 133186528
(2R)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-naphthalen-2-yloxybutanamide
CID 92681531
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 28574092
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide
CID 7373963
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 133264453
(2R)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 29459815

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide (CID 133217309) is N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide is CCC(Oc1ccc2ccccc2c1)C(=O)NC(C)c1cc(C(C)C)c(OC)cc1C.
What is the InChIKey of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is REOJBBWOFDWEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO3/c1-7-25(31-22-13-12-20-10-8-9-11-21(20)15-22)27(29)28-19(5)24-16-23(17(2)3)26(30-6)14-18(24)4/h8-17,19,25H,7H2,1-6H3,(H,28,29).
What are the key properties of N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide?
N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide has a molecular weight of 419.57 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 133217309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).