(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide

C14H21NO3 — CID 42082748

IUPAC(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
SMILESCCCCNC(=O)[C@H](C)Oc1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-4-5-10-15-14(16)11(2)18-13-8-6-12(17-3)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyZJRNHKKETXNNNF-NSHDSACASA-N
MW251.33 g/mol
LogP2.38
Rot. Bonds7

About (2S)-N-butyl-2-(4-methoxyphenoxy)propanamide

(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide (PubChem CID 42082748) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2S)-N-butyl-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
PubChem CID42082748
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide
SMILESCCCCNC(=O)[C@H](C)Oc1ccc(OC)cc1
InChIInChI=1S/C14H21NO3/c1-4-5-10-15-14(16)11(2)18-13-8-6-12(17-3)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)/t11-/m0/s1
InChIKeyZJRNHKKETXNNNF-NSHDSACASA-N
XLogP2.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.38
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

methyl 4-[1-(butylamino)-1-oxopropan-2-yl]oxybenzoate
CID 60718466
(2S)-2-(4-bromophenoxy)-N-butylpropanamide
CID 28826027
N-butyl-2-(4-iodophenoxy)propanamide
CID 60718400
2-(4-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 21173373
N-butyl-2-[4-(2-hydroxypropyl)phenoxy]propanamide
CID 115495782
methyl 6-[2-(4-methoxyphenoxy)propanoylamino]hexanoate
CID 46481594
N-pentyl-2-(4-propan-2-ylphenoxy)propanamide
CID 64763482
N-butyl-2-[4-(3-hydroxybutyl)phenoxy]propanamide
CID 43504088
N-hexyl-2-(3-methoxyphenoxy)propanamide
CID 19203844
N-butyl-2-(4-carbamothioylphenoxy)propanamide
CID 43116867
3-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]propanoic acid
CID 93306205
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 132653933

Frequently Asked Questions

What is the IUPAC name of (2S)-N-butyl-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of (2S)-N-butyl-2-(4-methoxyphenoxy)propanamide (CID 42082748) is (2S)-N-butyl-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for (2S)-N-butyl-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for (2S)-N-butyl-2-(4-methoxyphenoxy)propanamide is CCCCNC(=O)[C@H](C)Oc1ccc(OC)cc1.
What is the InChIKey of (2S)-N-butyl-2-(4-methoxyphenoxy)propanamide?
The InChIKey is ZJRNHKKETXNNNF-NSHDSACASA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-5-10-15-14(16)11(2)18-13-8-6-12(17-3)7-9-13/h6-9,11H,4-5,10H2,1-3H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (2S)-N-butyl-2-(4-methoxyphenoxy)propanamide?
(2S)-N-butyl-2-(4-methoxyphenoxy)propanamide has a molecular weight of 251.33 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-butyl-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 42082748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).