2-chloro-N-(2,6-dimethylphenyl)-3-propan-2-yloxypropanamide

C14H20ClNO2 — CID 67892291

IUPAC2-chloro-N-(2,6-dimethylphenyl)-3-propan-2-yloxypropanamide
SMILESCc1cccc(C)c1NC(=O)C(Cl)COC(C)C
InChIInChI=1S/C14H20ClNO2/c1-9(2)18-8-12(15)14(17)16-13-10(3)6-5-7-11(13)4/h5-7,9,12H,8H2,1-4H3,(H,16,17)
InChIKeyABJDDXOZILOVSN-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.27
Rot. Bonds5

About 2-chloro-N-(2,6-dimethylphenyl)-3-propan-2-yloxypropanamide

2-chloro-N-(2,6-dimethylphenyl)-3-propan-2-yloxypropanamide (PubChem CID 67892291) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dimethylphenyl)-3-propan-2-yloxypropanamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dimethylphenyl)-3-propan-2-yloxypropanamide
PubChem CID67892291
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-chloro-N-(2,6-dimethylphenyl)-3-propan-2-yloxypropanamide
SMILESCc1cccc(C)c1NC(=O)C(Cl)COC(C)C
InChIInChI=1S/C14H20ClNO2/c1-9(2)18-8-12(15)14(17)16-13-10(3)6-5-7-11(13)4/h5-7,9,12H,8H2,1-4H3,(H,16,17)
InChIKeyABJDDXOZILOVSN-UHFFFAOYSA-N
XLogP3.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
3-chloro-N-(2,6-dimethylphenyl)-2-methoxypropanamide
CID 57302036
2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide
CID 43146320
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
2-chloro-N-(2-ethyl-6-methylphenyl)-4-methoxy-3-methylbutanamide
CID 70010696
(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016
2-chloro-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 3859248
N-(2,6-dimethylphenyl)-4-methyl-2-(methylamino)pentanamide
CID 110838096
N-(2,6-dimethylphenyl)-2-phenylbutanamide
CID 4117919
N-(2,6-dimethylphenyl)-2-(2-methylsulfanylethylamino)propanamide
CID 3039535
2-amino-N-(2,6-dimethylphenyl)butanamide;hydrochloride
CID 12546861
4-amino-N-(2,6-dimethylphenyl)-2-methyl-4-sulfanylidenebutanamide
CID 82119337

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)-3-propan-2-yloxypropanamide?
The IUPAC name of 2-chloro-N-(2,6-dimethylphenyl)-3-propan-2-yloxypropanamide (CID 67892291) is 2-chloro-N-(2,6-dimethylphenyl)-3-propan-2-yloxypropanamide.
What is the SMILES notation for 2-chloro-N-(2,6-dimethylphenyl)-3-propan-2-yloxypropanamide?
The canonical SMILES for 2-chloro-N-(2,6-dimethylphenyl)-3-propan-2-yloxypropanamide is Cc1cccc(C)c1NC(=O)C(Cl)COC(C)C.
What is the InChIKey of 2-chloro-N-(2,6-dimethylphenyl)-3-propan-2-yloxypropanamide?
The InChIKey is ABJDDXOZILOVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-9(2)18-8-12(15)14(17)16-13-10(3)6-5-7-11(13)4/h5-7,9,12H,8H2,1-4H3,(H,16,17).
What are the key properties of 2-chloro-N-(2,6-dimethylphenyl)-3-propan-2-yloxypropanamide?
2-chloro-N-(2,6-dimethylphenyl)-3-propan-2-yloxypropanamide has a molecular weight of 269.77 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dimethylphenyl)-3-propan-2-yloxypropanamide is sourced from PubChem (CID 67892291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).