2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide

C15H22N2O2 — CID 81387842

IUPAC2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N[C@@H](C)c1ccccc1OC
InChIInChI=1S/C15H22N2O2/c1-5-10-16-15(18)12(3)17-11(2)13-8-6-7-9-14(13)19-4/h5-9,11-12,17H,1,10H2,2-4H3,(H,16,18)/t11-,12?/m0/s1
InChIKeyFPIOLMSVUYRMSM-PXYINDEMSA-N
MW262.35 g/mol
LogP2.04
Rot. Bonds7

About 2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide

2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide (PubChem CID 81387842) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide
PubChem CID81387842
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N[C@@H](C)c1ccccc1OC
InChIInChI=1S/C15H22N2O2/c1-5-10-16-15(18)12(3)17-11(2)13-8-6-7-9-14(13)19-4/h5-9,11-12,17H,1,10H2,2-4H3,(H,16,18)/t11-,12?/m0/s1
InChIKeyFPIOLMSVUYRMSM-PXYINDEMSA-N
XLogP2.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(3,4-dimethoxyphenyl)ethylamino]-N-prop-2-enylpropanamide
CID 61066639
methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81396743
N-prop-2-enyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
CID 78980119
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81387523
(2R)-N-[4-(dimethylamino)phenyl]-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanamide
CID 25363076
(2S)-2-[(2-methoxyphenyl)methyl-methylamino]-N-prop-2-enylpropanamide
CID 94015388
1-[2-methoxy-2-(2-methoxyphenyl)ethyl]-3-prop-2-enylurea
CID 90598260
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
2-[2-[1-(methylamino)ethyl]phenoxy]-N-prop-2-enylacetamide
CID 60882862
2-methoxy-N-prop-2-enylbenzamide
CID 4063222
1-(2-methoxyphenyl)-2-(prop-2-enylamino)propan-1-one
CID 82100978
methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate
CID 43732354

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide (CID 81387842) is 2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)N[C@@H](C)c1ccccc1OC.
What is the InChIKey of 2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide?
The InChIKey is FPIOLMSVUYRMSM-PXYINDEMSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-10-16-15(18)12(3)17-11(2)13-8-6-7-9-14(13)19-4/h5-9,11-12,17H,1,10H2,2-4H3,(H,16,18)/t11-,12?/m0/s1.
What are the key properties of 2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide?
2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide has a molecular weight of 262.35 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 81387842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).