N-(2-amino-4,6-dichlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide

C14H20Cl2N2O3 — CID 115941858

IUPACN-(2-amino-4,6-dichlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide
SMILESCC(C)(C)OCCOCC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O3/c1-14(2,3)21-5-4-20-8-12(19)18-13-10(16)6-9(15)7-11(13)17/h6-7H,4-5,8,17H2,1-3H3,(H,18,19)
InChIKeyCKMQUAFZAQTVBP-UHFFFAOYSA-N
MW335.23 g/mol
LogP3.35
Rot. Bonds6

About N-(2-amino-4,6-dichlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide

N-(2-amino-4,6-dichlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide (PubChem CID 115941858) has the molecular formula C14H20Cl2N2O3 and a molecular weight of 335.23 g/mol. Its IUPAC name is N-(2-amino-4,6-dichlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dichlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide
PubChem CID115941858
Molecular FormulaC14H20Cl2N2O3
Molecular Weight335.23 g/mol
Exact Mass334.09
IUPAC NameN-(2-amino-4,6-dichlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide
SMILESCC(C)(C)OCCOCC(=O)Nc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C14H20Cl2N2O3/c1-14(2,3)21-5-4-20-8-12(19)18-13-10(16)6-9(15)7-11(13)17/h6-7H,4-5,8,17H2,1-3H3,(H,18,19)
InChIKeyCKMQUAFZAQTVBP-UHFFFAOYSA-N
XLogP3.35
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,6-dichlorophenyl)-2-heptoxyacetamide
CID 43127069
N-(2-amino-4,6-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 29004312
N-(2-amino-4,6-dichlorophenyl)-4-(2-methoxyethoxy)butanamide
CID 29278396
N-(2-amino-4,6-dichlorophenyl)-2-tert-butylsulfinylacetamide
CID 61304232
N-(2-amino-4,6-dichlorophenyl)-4-butoxybutanamide
CID 43267515
N-(2-amino-4,6-dichlorophenyl)-2-(dimethylamino)acetamide
CID 16789822
N-(2-amino-4,6-dichlorophenyl)-2-(4-fluorophenoxy)acetamide
CID 29033166
N-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide
CID 66321942
methyl 2-[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]sulfanylacetate
CID 43617977
N-(2-amino-4,6-dichlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]propanamide
CID 79380076
N-(2,6-dichloro-4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605640
2-[[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101399

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide?
The IUPAC name of N-(2-amino-4,6-dichlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide (CID 115941858) is N-(2-amino-4,6-dichlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide.
What is the SMILES notation for N-(2-amino-4,6-dichlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide?
The canonical SMILES for N-(2-amino-4,6-dichlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide is CC(C)(C)OCCOCC(=O)Nc1c(N)cc(Cl)cc1Cl.
What is the InChIKey of N-(2-amino-4,6-dichlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide?
The InChIKey is CKMQUAFZAQTVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3/c1-14(2,3)21-5-4-20-8-12(19)18-13-10(16)6-9(15)7-11(13)17/h6-7H,4-5,8,17H2,1-3H3,(H,18,19).
What are the key properties of N-(2-amino-4,6-dichlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide?
N-(2-amino-4,6-dichlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide has a molecular weight of 335.23 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dichlorophenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]acetamide is sourced from PubChem (CID 115941858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).