(2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide

C23H25NO3 — CID 94028066

IUPAC(2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
SMILESCCOc1ccccc1CNC(=O)[C@H](CC)Oc1cccc2ccccc12
InChIInChI=1S/C23H25NO3/c1-3-20(27-22-15-9-12-17-10-5-7-13-19(17)22)23(25)24-16-18-11-6-8-14-21(18)26-4-2/h5-15,20H,3-4,16H2,1-2H3,(H,24,25)/t20-/m0/s1
InChIKeyPAKIRDHZXMSLHF-FQEVSTJZSA-N
MW363.46 g/mol
LogP4.71
Rot. Bonds8

About (2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide

(2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide (PubChem CID 94028066) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is (2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
PubChem CID94028066
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name(2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
SMILESCCOc1ccccc1CNC(=O)[C@H](CC)Oc1cccc2ccccc12
InChIInChI=1S/C23H25NO3/c1-3-20(27-22-15-9-12-17-10-5-7-13-19(17)22)23(25)24-16-18-11-6-8-14-21(18)26-4-2/h5-15,20H,3-4,16H2,1-2H3,(H,24,25)/t20-/m0/s1
InChIKeyPAKIRDHZXMSLHF-FQEVSTJZSA-N
XLogP4.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide
CID 133218992
(2R)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxypropanamide
CID 94015852
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 53284919
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 92682211
(2S)-N-benzyl-2-naphthalen-1-yloxybutanamide
CID 30377459
(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
CID 92675039
(2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92674999
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92646424
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 92676257
N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 43915994
2-naphthalen-1-yloxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133166238
(2R)-N-methyl-2-naphthalen-1-yloxybutanamide
CID 30388203

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide?
The IUPAC name of (2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide (CID 94028066) is (2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for (2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for (2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide is CCOc1ccccc1CNC(=O)[C@H](CC)Oc1cccc2ccccc12.
What is the InChIKey of (2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide?
The InChIKey is PAKIRDHZXMSLHF-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25NO3/c1-3-20(27-22-15-9-12-17-10-5-7-13-19(17)22)23(25)24-16-18-11-6-8-14-21(18)26-4-2/h5-15,20H,3-4,16H2,1-2H3,(H,24,25)/t20-/m0/s1.
What are the key properties of (2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide?
(2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide has a molecular weight of 363.46 g/mol, XLogP of 4.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 94028066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).