2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide

C14H20ClNO2 — CID 134058549

IUPAC2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(C)C(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-10(2)9-16(4)14(17)11(3)18-13-7-5-6-12(15)8-13/h5-8,10-11H,9H2,1-4H3
InChIKeyLXOZDPDZOKICML-UHFFFAOYSA-N
MW269.77 g/mol
LogP3.22
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide

2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide (PubChem CID 134058549) has the molecular formula C14H20ClNO2 and a molecular weight of 269.77 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide
PubChem CID134058549
Molecular FormulaC14H20ClNO2
Molecular Weight269.77 g/mol
Exact Mass269.12
IUPAC Name2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CN(C)C(=O)C(C)Oc1cccc(Cl)c1
InChIInChI=1S/C14H20ClNO2/c1-10(2)9-16(4)14(17)11(3)18-13-7-5-6-12(15)8-13/h5-8,10-11H,9H2,1-4H3
InChIKeyLXOZDPDZOKICML-UHFFFAOYSA-N
XLogP3.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.77
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide
CID 897565
N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 63391336
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 76937574
2-[2-(3-chlorophenoxy)propanoyl-(2-methylpropyl)amino]acetic acid
CID 62034436
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403
2-(3-chlorophenoxy)-N-methyl-N-(piperidin-4-ylmethyl)propanamide
CID 79700188
(E,4R)-4-(3-chlorophenoxy)-1-(dimethylamino)pent-1-en-3-one
CID 1489413
(2R)-2-(3-chlorophenoxy)-N-[(2S)-1-ethylsulfonylpropan-2-yl]-N-methylpropanamide
CID 96533228
2-methyl-3-[methyl-[2-(3-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119228819

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide (CID 134058549) is 2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide is CC(C)CN(C)C(=O)C(C)Oc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is LXOZDPDZOKICML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO2/c1-10(2)9-16(4)14(17)11(3)18-13-7-5-6-12(15)8-13/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide?
2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 269.77 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 134058549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).