(2S)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide

C21H21NO3 — CID 38010633

IUPAC(2S)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C21H21NO3/c1-3-20(21(23)22-17-9-6-10-18(14-17)24-2)25-19-12-11-15-7-4-5-8-16(15)13-19/h4-14,20H,3H2,1-2H3,(H,22,23)/t20-/m0/s1
InChIKeyULMJIMCOUXTERL-FQEVSTJZSA-N
MW335.40 g/mol
LogP4.64
Rot. Bonds6

About (2S)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide

(2S)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide (PubChem CID 38010633) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is (2S)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide
PubChem CID38010633
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name(2S)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C21H21NO3/c1-3-20(21(23)22-17-9-6-10-18(14-17)24-2)25-19-12-11-15-7-4-5-8-16(15)13-19/h4-14,20H,3H2,1-2H3,(H,22,23)/t20-/m0/s1
InChIKeyULMJIMCOUXTERL-FQEVSTJZSA-N
XLogP4.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 38010628
N-(3-methoxyphenyl)-2-phenoxybutanamide
CID 3831473
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
(2R)-2-(4-ethylphenoxy)-N-(3-methoxyphenyl)butanamide
CID 99132919
(2S)-N-(3-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 94027504
(2R)-N-naphthalen-2-yl-2-phenoxybutanamide
CID 896831
(2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 94020229
(2R)-2-naphthalen-2-yloxy-N-pyridin-3-ylbutanamide
CID 92679830
methyl 4-[[(2R)-2-naphthalen-2-yloxybutanoyl]amino]benzoate
CID 30382427
methyl 4-(2-naphthalen-2-yloxybutanoylamino)benzoate
CID 43904604
N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284524
N-(4-ethylphenyl)-2-naphthalen-2-yloxybutanamide
CID 43904923

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2S)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide (CID 38010633) is (2S)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2S)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2S)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide is CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cccc(OC)c1.
What is the InChIKey of (2S)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide?
The InChIKey is ULMJIMCOUXTERL-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H21NO3/c1-3-20(21(23)22-17-9-6-10-18(14-17)24-2)25-19-12-11-15-7-4-5-8-16(15)13-19/h4-14,20H,3H2,1-2H3,(H,22,23)/t20-/m0/s1.
What are the key properties of (2S)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide?
(2S)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide has a molecular weight of 335.40 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-methoxyphenyl)-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 38010633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).