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

C19H25NO3 — CID 92686159

IUPAC(2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide
SMILESCCOCCCNC(=O)[C@H](CC)Oc1ccc2ccccc2c1
InChIInChI=1S/C19H25NO3/c1-3-18(19(21)20-12-7-13-22-4-2)23-17-11-10-15-8-5-6-9-16(15)14-17/h5-6,8-11,14,18H,3-4,7,12-13H2,1-2H3,(H,20,21)/t18-/m0/s1
InChIKeySKULVTCYNMXFMX-SFHVURJKSA-N
MW315.41 g/mol
LogP3.54
Rot. Bonds9

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

(2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide (PubChem CID 92686159) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is (2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide
PubChem CID92686159
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name(2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide
SMILESCCOCCCNC(=O)[C@H](CC)Oc1ccc2ccccc2c1
InChIInChI=1S/C19H25NO3/c1-3-18(19(21)20-12-7-13-22-4-2)23-17-11-10-15-8-5-6-9-16(15)14-17/h5-6,8-11,14,18H,3-4,7,12-13H2,1-2H3,(H,20,21)/t18-/m0/s1
InChIKeySKULVTCYNMXFMX-SFHVURJKSA-N
XLogP3.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
CID 92647112
N-(3-butoxypropyl)-2-phenoxybutanamide
CID 4557068
(2R)-N-(3-ethoxypropyl)-2-naphthalen-1-yloxybutanamide
CID 99955185
N-(3-ethoxypropyl)-2-naphthalen-2-yloxyacetamide
CID 35292228
N-[2-(4-fluorophenoxy)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133240085
2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 133252076
2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133240086
(2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 94012280
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 92673251
N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 46764115
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
(2S)-2-(2-chlorophenoxy)-N-(3-ethoxypropyl)butanamide
CID 28632344

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide (CID 92686159) is (2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide is CCOCCCNC(=O)[C@H](CC)Oc1ccc2ccccc2c1.
What is the InChIKey of (2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide?
The InChIKey is SKULVTCYNMXFMX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25NO3/c1-3-18(19(21)20-12-7-13-22-4-2)23-17-11-10-15-8-5-6-9-16(15)14-17/h5-6,8-11,14,18H,3-4,7,12-13H2,1-2H3,(H,20,21)/t18-/m0/s1.
What are the key properties of (2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide?
(2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide has a molecular weight of 315.41 g/mol, XLogP of 3.54, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 92686159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).