N-(2,6-dichlorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide

C14H18Cl2N2O3 — CID 104760842

IUPACN-(2,6-dichlorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide
SMILESCOC1(CNCC(=O)Nc2c(Cl)cccc2Cl)CCOC1
InChIInChI=1S/C14H18Cl2N2O3/c1-20-14(5-6-21-9-14)8-17-7-12(19)18-13-10(15)3-2-4-11(13)16/h2-4,17H,5-9H2,1H3,(H,18,19)
InChIKeyMWPCMHYHKGGZEO-UHFFFAOYSA-N
MW333.22 g/mol
LogP2.33
Rot. Bonds6

About N-(2,6-dichlorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide

N-(2,6-dichlorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide (PubChem CID 104760842) has the molecular formula C14H18Cl2N2O3 and a molecular weight of 333.22 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide
PubChem CID104760842
Molecular FormulaC14H18Cl2N2O3
Molecular Weight333.22 g/mol
Exact Mass332.07
IUPAC NameN-(2,6-dichlorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide
SMILESCOC1(CNCC(=O)Nc2c(Cl)cccc2Cl)CCOC1
InChIInChI=1S/C14H18Cl2N2O3/c1-20-14(5-6-21-9-14)8-17-7-12(19)18-13-10(15)3-2-4-11(13)16/h2-4,17H,5-9H2,1H3,(H,18,19)
InChIKeyMWPCMHYHKGGZEO-UHFFFAOYSA-N
XLogP2.33
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxyoxolan-3-yl)methylamino]-N-(2-methylphenyl)acetamide
CID 104760816
N-(2-bromophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide
CID 104760787
1-(3-chloro-2-fluorophenyl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704871
2-[(3-methoxyoxolan-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 113450182
propan-2-yl 2-[(3-methoxyoxolan-3-yl)methylamino]acetate
CID 104760743
N-(2,6-dichlorophenyl)-2-[(2-methylthiolan-2-yl)methylamino]acetamide
CID 80723780
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
CID 113443332
methyl 2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]benzoate
CID 104721656
3-amino-2-chloro-N-[(3-methoxyoxolan-3-yl)methyl]benzamide
CID 104758375
1-(3-aminophenyl)-3-[(3-methoxyoxolan-3-yl)methyl]urea
CID 104762349
methyl 3-[(3-methoxyoxolan-3-yl)methylamino]-2-phenylpropanoate
CID 104761009
N-(2,6-dichlorophenyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetamide
CID 106212241

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide (CID 104760842) is N-(2,6-dichlorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide is COC1(CNCC(=O)Nc2c(Cl)cccc2Cl)CCOC1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide?
The InChIKey is MWPCMHYHKGGZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O3/c1-20-14(5-6-21-9-14)8-17-7-12(19)18-13-10(15)3-2-4-11(13)16/h2-4,17H,5-9H2,1H3,(H,18,19).
What are the key properties of N-(2,6-dichlorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide?
N-(2,6-dichlorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide has a molecular weight of 333.22 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[(3-methoxyoxolan-3-yl)methylamino]acetamide is sourced from PubChem (CID 104760842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).