2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide

C12H18N2O2 — CID 81371329

IUPAC2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
SMILESCNC(=O)CN[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C12H18N2O2/c1-9(14-8-12(15)13-2)10-4-6-11(16-3)7-5-10/h4-7,9,14H,8H2,1-3H3,(H,13,15)/t9-/m0/s1
InChIKeyRCLAIIQQZSUCAC-VIFPVBQESA-N
MW222.29 g/mol
LogP1.09
Rot. Bonds5

About 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide

2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide (PubChem CID 81371329) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
PubChem CID81371329
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
SMILESCNC(=O)CN[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C12H18N2O2/c1-9(14-8-12(15)13-2)10-4-6-11(16-3)7-5-10/h4-7,9,14H,8H2,1-3H3,(H,13,15)/t9-/m0/s1
InChIKeyRCLAIIQQZSUCAC-VIFPVBQESA-N
XLogP1.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide
CID 43215162
2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-N-(1-methoxypropan-2-yl)acetamide
CID 81371403
N-(2-methoxyethyl)-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]acetamide
CID 81371226
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-phenylacetamide
CID 81368463
2-[1-(4-chlorophenyl)ethylamino]-N-methylacetamide
CID 43214679
2-[1-(4-ethylphenyl)ethylamino]-N-methylacetamide
CID 43214669
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9335614
N-methyl-2-[1-(4-phenylphenyl)ethylamino]acetamide
CID 43214687
(E)-4-[1-(4-methoxyphenyl)ethylamino]-3-methylbut-2-enoic acid
CID 103256077
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371487
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 81371407
N'-hydroxy-2-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanimidamide
CID 81364426

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide?
The IUPAC name of 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide (CID 81371329) is 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide is CNC(=O)CN[C@@H](C)c1ccc(OC)cc1.
What is the InChIKey of 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide?
The InChIKey is RCLAIIQQZSUCAC-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(14-8-12(15)13-2)10-4-6-11(16-3)7-5-10/h4-7,9,14H,8H2,1-3H3,(H,13,15)/t9-/m0/s1.
What are the key properties of 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide?
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide has a molecular weight of 222.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide is sourced from PubChem (CID 81371329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).