(2S)-N-butyl-2-(2-methoxyphenoxy)butanamide

C15H23NO3 — CID 40769022

IUPAC(2S)-N-butyl-2-(2-methoxyphenoxy)butanamide
SMILESCCCCNC(=O)[C@H](CC)Oc1ccccc1OC
InChIInChI=1S/C15H23NO3/c1-4-6-11-16-15(17)12(5-2)19-14-10-8-7-9-13(14)18-3/h7-10,12H,4-6,11H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyMHZFJQLLSHDWEV-LBPRGKRZSA-N
MW265.35 g/mol
LogP2.77
Rot. Bonds8

About (2S)-N-butyl-2-(2-methoxyphenoxy)butanamide

(2S)-N-butyl-2-(2-methoxyphenoxy)butanamide (PubChem CID 40769022) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (2S)-N-butyl-2-(2-methoxyphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-butyl-2-(2-methoxyphenoxy)butanamide
PubChem CID40769022
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(2S)-N-butyl-2-(2-methoxyphenoxy)butanamide
SMILESCCCCNC(=O)[C@H](CC)Oc1ccccc1OC
InChIInChI=1S/C15H23NO3/c1-4-6-11-16-15(17)12(5-2)19-14-10-8-7-9-13(14)18-3/h7-10,12H,4-6,11H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKeyMHZFJQLLSHDWEV-LBPRGKRZSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.77
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

2-(2-methoxyphenoxy)-N-[3-(2-methoxyphenyl)propyl]butanamide
CID 132653883
(2S)-N-butyl-2-(2-methylphenoxy)butanamide
CID 30398295
(2S)-2-(2-methoxyphenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 9172862
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
CID 40745436
N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide
CID 132652633
2-(2-methoxyphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide
CID 132655492
2-(2-methoxyphenoxy)-N-[2-(4-methoxyphenoxy)ethyl]butanamide
CID 133211089
2-(2-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide
CID 133250067
(2S)-2-naphthalen-1-yloxy-N-pentylbutanamide
CID 94012357
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 53286217
(2R)-N-[(2-chlorophenyl)methyl]-2-(2-methoxyphenoxy)butanamide
CID 42082365
2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide
CID 17150566

Frequently Asked Questions

What is the IUPAC name of (2S)-N-butyl-2-(2-methoxyphenoxy)butanamide?
The IUPAC name of (2S)-N-butyl-2-(2-methoxyphenoxy)butanamide (CID 40769022) is (2S)-N-butyl-2-(2-methoxyphenoxy)butanamide.
What is the SMILES notation for (2S)-N-butyl-2-(2-methoxyphenoxy)butanamide?
The canonical SMILES for (2S)-N-butyl-2-(2-methoxyphenoxy)butanamide is CCCCNC(=O)[C@H](CC)Oc1ccccc1OC.
What is the InChIKey of (2S)-N-butyl-2-(2-methoxyphenoxy)butanamide?
The InChIKey is MHZFJQLLSHDWEV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-6-11-16-15(17)12(5-2)19-14-10-8-7-9-13(14)18-3/h7-10,12H,4-6,11H2,1-3H3,(H,16,17)/t12-/m0/s1.
What are the key properties of (2S)-N-butyl-2-(2-methoxyphenoxy)butanamide?
(2S)-N-butyl-2-(2-methoxyphenoxy)butanamide has a molecular weight of 265.35 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butyl-2-(2-methoxyphenoxy)butanamide is sourced from PubChem (CID 40769022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).