(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide

C23H25NO3 — CID 38011722

IUPAC(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C23H25NO3/c1-4-22(27-21-14-11-18-7-5-6-8-19(18)15-21)23(25)24(2)16-17-9-12-20(26-3)13-10-17/h5-15,22H,4,16H2,1-3H3/t22-/m0/s1
InChIKeyXHHDRLKUUVCTCS-QFIPXVFZSA-N
MW363.46 g/mol
LogP4.66
Rot. Bonds7

About (2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide

(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide (PubChem CID 38011722) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide
PubChem CID38011722
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1ccc(OC)cc1
InChIInChI=1S/C23H25NO3/c1-4-22(27-21-14-11-18-7-5-6-8-19(18)15-21)23(25)24(2)16-17-9-12-20(26-3)13-10-17/h5-15,22H,4,16H2,1-3H3/t22-/m0/s1
InChIKeyXHHDRLKUUVCTCS-QFIPXVFZSA-N
XLogP4.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(4-chlorophenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide
CID 92646894
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 132652420
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)butanamide
CID 132651221
(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 94018484
(2S)-2-(3-chlorophenoxy)-N-[(4-chlorophenyl)methyl]-N-methylbutanamide
CID 94016620
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 93486822
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-yloxybutanamide
CID 132763303
N-benzyl-2-(4-chloro-3,5-dimethylphenoxy)-N-methylbutanamide
CID 13232221
N-methyl-4-[[methyl-[(2R)-2-phenoxybutanoyl]amino]methyl]benzamide
CID 8965470
(2R)-2-amino-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 119272237
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 21368307
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide
CID 7373963

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide (CID 38011722) is (2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide is CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1ccc(OC)cc1.
What is the InChIKey of (2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide?
The InChIKey is XHHDRLKUUVCTCS-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H25NO3/c1-4-22(27-21-14-11-18-7-5-6-8-19(18)15-21)23(25)24(2)16-17-9-12-20(26-3)13-10-17/h5-15,22H,4,16H2,1-3H3/t22-/m0/s1.
What are the key properties of (2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide?
(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide has a molecular weight of 363.46 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 38011722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).