(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide

C15H22N2O2 — CID 94015388

IUPAC(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@H](C)N(C)Cc1ccccc1OC
InChIInChI=1S/C15H22N2O2/c1-5-10-16-15(18)12(2)17(3)11-13-8-6-7-9-14(13)19-4/h5-9,12H,1,10-11H2,2-4H3,(H,16,18)/t12-/m0/s1
InChIKeyFMYOLPCPSVOKRB-LBPRGKRZSA-N
MW262.35 g/mol
LogP1.82
Rot. Bonds7

About (2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide

(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide (PubChem CID 94015388) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide
PubChem CID94015388
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)[C@H](C)N(C)Cc1ccccc1OC
InChIInChI=1S/C15H22N2O2/c1-5-10-16-15(18)12(2)17(3)11-13-8-6-7-9-14(13)19-4/h5-9,12H,1,10-11H2,2-4H3,(H,16,18)/t12-/m0/s1
InChIKeyFMYOLPCPSVOKRB-LBPRGKRZSA-N
XLogP1.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methoxyphenyl)methyl-methylamino]-N,N-dimethylpropanamide
CID 78815655
1-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-3-prop-2-enylurea
CID 110901111
N'-[(2-methoxyphenyl)methyl]-N'-methyl-N-prop-2-enylethane-1,2-diamine
CID 62554444
2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide
CID 81387842
1-[(2-methoxyphenyl)methyl-methylamino]ethanol
CID 67668408
(2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-ethylpropanamide
CID 8845701
3-[(2-methoxyphenyl)methyl-propan-2-ylamino]propanoic acid
CID 60833930
methyl 4-[methyl-[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]butanoate
CID 62013457
2-(2-hydroxyphenoxy)-N-prop-2-enylpropanamide
CID 43143434
3-[(2-methoxyphenyl)methyl-methylamino]-2-methylbutanehydrazide
CID 79408377
(2S)-2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide
CID 52519987
(2R)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 8517845

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide?
The IUPAC name of (2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide (CID 94015388) is (2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide.
What is the SMILES notation for (2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide?
The canonical SMILES for (2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide is C=CCNC(=O)[C@H](C)N(C)Cc1ccccc1OC.
What is the InChIKey of (2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide?
The InChIKey is FMYOLPCPSVOKRB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-10-16-15(18)12(2)17(3)11-13-8-6-7-9-14(13)19-4/h5-9,12H,1,10-11H2,2-4H3,(H,16,18)/t12-/m0/s1.
What are the key properties of (2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide?
(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide has a molecular weight of 262.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 94015388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).