2-[(4-chlorophenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide

C13H19ClN2O2 — CID 60684118

IUPAC2-[(4-chlorophenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNCc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2/c1-10(9-18-2)16-13(17)8-15-7-11-3-5-12(14)6-4-11/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyXDMAIHHRLHFOFG-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.58
Rot. Bonds7

About 2-[(4-chlorophenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide

2-[(4-chlorophenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 60684118) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID60684118
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-[(4-chlorophenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CNCc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2/c1-10(9-18-2)16-13(17)8-15-7-11-3-5-12(14)6-4-11/h3-6,10,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyXDMAIHHRLHFOFG-UHFFFAOYSA-N
XLogP1.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl]benzamide
CID 40897930
2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 114332045
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)acetamide
CID 78908353
N-[(2R)-1-(4-chlorophenyl)propan-2-yl]-2-methoxyacetamide
CID 51948159
N-butan-2-yl-3-[(4-chlorophenyl)methylamino]propanamide
CID 54893832
2-(4-chloro-2-methylanilino)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 51726773
2-(4-chlorophenyl)-N-[1-(4-methoxyphenoxy)propan-2-yl]acetamide
CID 132651656
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998151
4-chloro-N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]benzamide
CID 18161035
2-[[2-(ethoxymethyl)phenyl]methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 60976872
4-chloro-N-[4-[[(2R)-1-methoxypropan-2-yl]amino]-4-oxobutyl]benzamide
CID 30481575
2-(2,2-difluoroethylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 115406791

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide (CID 60684118) is 2-[(4-chlorophenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CNCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is XDMAIHHRLHFOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-10(9-18-2)16-13(17)8-15-7-11-3-5-12(14)6-4-11/h3-6,10,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[(4-chlorophenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide?
2-[(4-chlorophenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 270.76 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 60684118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).