2-chloro-2-methoxy-N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide

C14H20ClNO3 — CID 70513677

IUPAC2-chloro-2-methoxy-N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide
SMILESCOC(Cl)C(=O)N(COC(C)C)c1ccccc1C
InChIInChI=1S/C14H20ClNO3/c1-10(2)19-9-16(14(17)13(15)18-4)12-8-6-5-7-11(12)3/h5-8,10,13H,9H2,1-4H3
InChIKeyFPBGEDHWEIDLLR-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.92
Rot. Bonds6

About 2-chloro-2-methoxy-N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide

2-chloro-2-methoxy-N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide (PubChem CID 70513677) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-chloro-2-methoxy-N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide.

Molecular Properties

Compound Name2-chloro-2-methoxy-N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide
PubChem CID70513677
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-chloro-2-methoxy-N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide
SMILESCOC(Cl)C(=O)N(COC(C)C)c1ccccc1C
InChIInChI=1S/C14H20ClNO3/c1-10(2)19-9-16(14(17)13(15)18-4)12-8-6-5-7-11(12)3/h5-8,10,13H,9H2,1-4H3
InChIKeyFPBGEDHWEIDLLR-UHFFFAOYSA-N
XLogP2.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide
CID 66617334
2-chloro-N-(propan-2-yloxymethyl)-N-(2-prop-1-enylphenyl)butanamide
CID 70585246
2,2-dichloro-N-ethyl-N-(2-methylphenyl)acetamide
CID 3338024
N-(butoxymethyl)-2-chloro-3,3-dimethyl-N-(2-methylphenyl)butanamide
CID 20526820
2-chloro-N-methyl-2-(4-methylpentan-2-yloxy)-N-(2-methylphenyl)acetamide
CID 174517064
2-chloro-N-(1-methoxypropan-2-yl)-N-(2-methylphenyl)butanamide
CID 5463823
3-(N-ethyl-2-methylanilino)-2-methyl-3-oxopropanoic acid
CID 114896860
N-ethyl-2,2-difluoro-N-(2-methylphenyl)acetamide
CID 103515266
N-ethyl-2-methyl-N-(2-methylphenyl)pentanamide
CID 2890658
2-chloro-N-(2-methylphenyl)-N-(pyrazol-1-ylmethyl)propanamide
CID 19805763
2-chloro-N-[(5-methoxy-4-methyl-1,2,4-triazol-3-yl)methyl]-N-(2-methylphenyl)butanamide
CID 70576113
4-amino-N-ethyl-3-methoxy-N-(2-methylphenyl)butanamide
CID 103154153

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-methoxy-N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide?
The IUPAC name of 2-chloro-2-methoxy-N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide (CID 70513677) is 2-chloro-2-methoxy-N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide.
What is the SMILES notation for 2-chloro-2-methoxy-N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide?
The canonical SMILES for 2-chloro-2-methoxy-N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide is COC(Cl)C(=O)N(COC(C)C)c1ccccc1C.
What is the InChIKey of 2-chloro-2-methoxy-N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide?
The InChIKey is FPBGEDHWEIDLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-10(2)19-9-16(14(17)13(15)18-4)12-8-6-5-7-11(12)3/h5-8,10,13H,9H2,1-4H3.
What are the key properties of 2-chloro-2-methoxy-N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide?
2-chloro-2-methoxy-N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide has a molecular weight of 285.77 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-methoxy-N-(2-methylphenyl)-N-(propan-2-yloxymethyl)acetamide is sourced from PubChem (CID 70513677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).