2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide

C14H21ClN2O2 — CID 94897721

IUPAC2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@@H](C)NC(=O)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-11(10-19-3)16-14(18)9-17(2)8-12-6-4-5-7-13(12)15/h4-7,11H,8-10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyJTSZRWWAZKEDCC-LLVKDONJSA-N
MW284.79 g/mol
LogP1.92
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide

2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide (PubChem CID 94897721) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide
PubChem CID94897721
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide
SMILESCOC[C@@H](C)NC(=O)CN(C)Cc1ccccc1Cl
InChIInChI=1S/C14H21ClN2O2/c1-11(10-19-3)16-14(18)9-17(2)8-12-6-4-5-7-13(12)15/h4-7,11H,8-10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyJTSZRWWAZKEDCC-LLVKDONJSA-N
XLogP1.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-[(2-chlorophenyl)methyl-methylamino]acetate
CID 54940311
N-tert-butyl-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 8756656
1-[(2-chlorophenyl)methyl]-3-(1-methoxypropan-2-yl)thiourea
CID 115570468
N-(2,6-dimethylphenyl)-2-[[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]-methylamino]acetamide
CID 40811799
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 27222681
N-[2-[(2-chlorophenyl)methyl-methylamino]acetyl]-4-methoxybenzamide
CID 17395658
2-[(2-chlorophenyl)methyl-methylamino]-N-(2,3,5,6-tetrachlorophenyl)acetamide
CID 18282633
2-[2-hydroxyethyl(methyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 60683894
4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide
CID 94821455
2-(2-chlorophenyl)-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 100630978
2-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 3437888
methyl 2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]benzoate
CID 60696764

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide (CID 94897721) is 2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide is COC[C@@H](C)NC(=O)CN(C)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide?
The InChIKey is JTSZRWWAZKEDCC-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-11(10-19-3)16-14(18)9-17(2)8-12-6-4-5-7-13(12)15/h4-7,11H,8-10H2,1-3H3,(H,16,18)/t11-/m1/s1.
What are the key properties of 2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide?
2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide has a molecular weight of 284.79 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylamino]-N-[(2R)-1-methoxypropan-2-yl]acetamide is sourced from PubChem (CID 94897721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).