(2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide

C14H22N2O2 — CID 125458965

IUPAC(2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide
SMILESCCOc1cccc([C@H](C)NC(=O)[C@H](C)NC)c1
InChIInChI=1S/C14H22N2O2/c1-5-18-13-8-6-7-12(9-13)10(2)16-14(17)11(3)15-4/h6-11,15H,5H2,1-4H3,(H,16,17)/t10-,11-/m0/s1
InChIKeyNGJHFGQEXMFXQZ-QWRGUYRKSA-N
MW250.34 g/mol
LogP1.87
Rot. Bonds6

About (2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide

(2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide (PubChem CID 125458965) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide
PubChem CID125458965
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide
SMILESCCOc1cccc([C@H](C)NC(=O)[C@H](C)NC)c1
InChIInChI=1S/C14H22N2O2/c1-5-18-13-8-6-7-12(9-13)10(2)16-14(17)11(3)15-4/h6-11,15H,5H2,1-4H3,(H,16,17)/t10-,11-/m0/s1
InChIKeyNGJHFGQEXMFXQZ-QWRGUYRKSA-N
XLogP1.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-ethoxyphenyl)ethyl]-2-hydroxy-2-phenylacetamide
CID 111432554
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
(2S)-2-amino-N-[(1R)-1-(3-ethoxyphenyl)ethyl]-4-methylpentanamide
CID 124683253
3-[1-(3-ethoxyphenyl)ethyl]-1,1-diethylurea
CID 60600590
2-acetamido-N-[1-(3-ethoxyphenyl)ethyl]acetamide
CID 75418201
N-[1-(3-ethoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 119745540
(2R)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]amino]-N-(methylcarbamoyl)propanamide
CID 94817705
1-[3-(3-ethoxyphenoxy)phenyl]-N-methylethanamine
CID 79167201
(2R)-N-carbamoyl-2-[[(1R)-1-(3-ethoxyphenyl)ethyl]amino]propanamide
CID 94217949
2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide
CID 63870086
2-(methylamino)-N-[(1R)-1-phenylethyl]propanamide
CID 78953244
5-[1-(3-ethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685225

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide (CID 125458965) is (2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide is CCOc1cccc([C@H](C)NC(=O)[C@H](C)NC)c1.
What is the InChIKey of (2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide?
The InChIKey is NGJHFGQEXMFXQZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-18-13-8-6-7-12(9-13)10(2)16-14(17)11(3)15-4/h6-11,15H,5H2,1-4H3,(H,16,17)/t10-,11-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide?
(2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-2-(methylamino)propanamide is sourced from PubChem (CID 125458965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).