(2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide

C16H25NO3 — CID 95291104

IUPAC(2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide
SMILESCCO[C@@H](C)C(=O)N(C)[C@H](C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H25NO3/c1-6-20-13(3)16(18)17(4)12(2)11-14-7-9-15(19-5)10-8-14/h7-10,12-13H,6,11H2,1-5H3/t12-,13+/m1/s1
InChIKeyIGYCSZRTOJVCFJ-OLZOCXBDSA-N
MW279.38 g/mol
LogP2.51
Rot. Bonds7

About (2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide

(2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide (PubChem CID 95291104) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide
PubChem CID95291104
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide
SMILESCCO[C@@H](C)C(=O)N(C)[C@H](C)Cc1ccc(OC)cc1
InChIInChI=1S/C16H25NO3/c1-6-20-13(3)16(18)17(4)12(2)11-14-7-9-15(19-5)10-8-14/h7-10,12-13H,6,11H2,1-5H3/t12-,13+/m1/s1
InChIKeyIGYCSZRTOJVCFJ-OLZOCXBDSA-N
XLogP2.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-3-(4-methoxyphenyl)propanoic acid
CID 11183680
(2S)-N-methoxy-2-[(4-methoxyphenyl)methoxy]-N-methylpropanamide
CID 11425295
N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)-N-methylpropanamide
CID 119584481
3-(2-methoxyphenyl)-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea
CID 52503085
2-[1-(4-methoxyphenyl)propan-2-ylamino]-N,N-dimethylacetamide
CID 43508841
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137
ethyl 2-bromo-3-(4-methoxyphenyl)propanoate
CID 4737532
3-[(3,4-dimethoxyphenyl)methyl]-1-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea
CID 52510628
3-(2-fluorophenyl)-1-[(2S)-1-(4-methoxyphenyl)propan-2-yl]-1-methylurea
CID 52505851
cis-(1S,2R)-N-[3-[[(2S)-1-(4-methoxyphenyl)propan-2-yl]-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94805916
N-[4-[[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]methyl]phenyl]acetamide
CID 23848174

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide?
The IUPAC name of (2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide (CID 95291104) is (2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide?
The canonical SMILES for (2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide is CCO[C@@H](C)C(=O)N(C)[C@H](C)Cc1ccc(OC)cc1.
What is the InChIKey of (2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide?
The InChIKey is IGYCSZRTOJVCFJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H25NO3/c1-6-20-13(3)16(18)17(4)12(2)11-14-7-9-15(19-5)10-8-14/h7-10,12-13H,6,11H2,1-5H3/t12-,13+/m1/s1.
What are the key properties of (2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide?
(2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide has a molecular weight of 279.38 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-[(2R)-1-(4-methoxyphenyl)propan-2-yl]-N-methylpropanamide is sourced from PubChem (CID 95291104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).