2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide

C13H17Cl2NO3 — CID 82724609

IUPAC2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NOC(C)(C)C
InChIInChI=1S/C13H17Cl2NO3/c1-8(12(17)16-19-13(2,3)4)18-11-6-5-9(14)7-10(11)15/h5-8H,1-4H3,(H,16,17)
InChIKeyRCLTVUGODKOFSG-UHFFFAOYSA-N
MW306.19 g/mol
LogP3.61
Rot. Bonds4

About 2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide

2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide (PubChem CID 82724609) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide
PubChem CID82724609
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NOC(C)(C)C
InChIInChI=1S/C13H17Cl2NO3/c1-8(12(17)16-19-13(2,3)4)18-11-6-5-9(14)7-10(11)15/h5-8H,1-4H3,(H,16,17)
InChIKeyRCLTVUGODKOFSG-UHFFFAOYSA-N
XLogP3.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]carbamate
CID 51573379
(2R)-2-(2,4-dichlorophenoxy)-N-ethoxypropanamide
CID 30690113
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 119606020
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
2-(2,4-dichlorophenoxy)-N'-(2,2,2-trifluoroacetyl)propanehydrazide
CID 3349726
3-[2-(2,4-dichlorophenoxy)propanoylamino]-3-methylbutanoic acid
CID 64672107
amino (2S)-2-(2,4-dichlorophenoxy)propanoate
CID 170104927
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
1-N',4-N'-bis[2-(2,4-dichlorophenoxy)propanoyl]benzene-1,4-dicarbohydrazide
CID 3359373
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide (CID 82724609) is 2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NOC(C)(C)C.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide?
The InChIKey is RCLTVUGODKOFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO3/c1-8(12(17)16-19-13(2,3)4)18-11-6-5-9(14)7-10(11)15/h5-8H,1-4H3,(H,16,17).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide?
2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide has a molecular weight of 306.19 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(2-methylpropan-2-yl)oxy]propanamide is sourced from PubChem (CID 82724609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).