(2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide

C14H19NO2 — CID 40742748

IUPAC(2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1
InChIInChI=1S/C14H19NO2/c1-5-6-15-14(16)12(4)17-13-8-10(2)7-11(3)9-13/h5,7-9,12H,1,6H2,2-4H3,(H,15,16)/t12-/m0/s1
InChIKeyQQHFVLZYHKCLNH-LBPRGKRZSA-N
MW233.31 g/mol
LogP2.37
Rot. Bonds5

About (2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide

(2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide (PubChem CID 40742748) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide
PubChem CID40742748
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1
InChIInChI=1S/C14H19NO2/c1-5-6-15-14(16)12(4)17-13-8-10(2)7-11(3)9-13/h5,7-9,12H,1,6H2,2-4H3,(H,15,16)/t12-/m0/s1
InChIKeyQQHFVLZYHKCLNH-LBPRGKRZSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-aminophenoxy)-N-prop-2-enylpropanamide
CID 93455625
(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide
CID 9181944
2-naphthalen-2-yloxy-N-prop-2-enylpropanamide
CID 12873693
2-(4-iodophenoxy)-N-prop-2-enylpropanamide
CID 60675232
2-[3-(1-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
CID 60878639
2-(2-fluoro-5-methylphenoxy)-N-prop-2-enylpropanamide
CID 64853364
2-(3,5-dimethylphenoxy)propanehydrazide
CID 2758585
2-[4-(2-aminoethyl)phenoxy]-N-prop-2-enylpropanamide
CID 54931120
2-methoxy-N-prop-2-enylpropanamide
CID 100983783
2-[3-fluoro-4-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylpropanamide
CID 107716763
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
CID 43143434
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide
CID 24511209

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide?
The IUPAC name of (2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide (CID 40742748) is (2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide?
The canonical SMILES for (2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide is C=CCNC(=O)[C@H](C)Oc1cc(C)cc(C)c1.
What is the InChIKey of (2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide?
The InChIKey is QQHFVLZYHKCLNH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19NO2/c1-5-6-15-14(16)12(4)17-13-8-10(2)7-11(3)9-13/h5,7-9,12H,1,6H2,2-4H3,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide?
(2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide has a molecular weight of 233.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethylphenoxy)-N-prop-2-enylpropanamide is sourced from PubChem (CID 40742748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).