2-(4-chloro-2-methylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide

C17H25ClN2O2 — CID 56509742

IUPAC2-(4-chloro-2-methylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)N(C)CCN1CCCC1
InChIInChI=1S/C17H25ClN2O2/c1-13-12-15(18)6-7-16(13)22-14(2)17(21)19(3)10-11-20-8-4-5-9-20/h6-7,12,14H,4-5,8-11H2,1-3H3
InChIKeySSAZDRDEHQJJSQ-UHFFFAOYSA-N
MW324.85 g/mol
LogP2.97
Rot. Bonds6

About 2-(4-chloro-2-methylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide

2-(4-chloro-2-methylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 56509742) has the molecular formula C17H25ClN2O2 and a molecular weight of 324.85 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID56509742
Molecular FormulaC17H25ClN2O2
Molecular Weight324.85 g/mol
Exact Mass324.16
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESCc1cc(Cl)ccc1OC(C)C(=O)N(C)CCN1CCCC1
InChIInChI=1S/C17H25ClN2O2/c1-13-12-15(18)6-7-16(13)22-14(2)17(21)19(3)10-11-20-8-4-5-9-20/h6-7,12,14H,4-5,8-11H2,1-3H3
InChIKeySSAZDRDEHQJJSQ-UHFFFAOYSA-N
XLogP2.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.85
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79291324
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide
CID 112787380
2-(4-chloro-2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2931257
2-(4-chloro-2-methylphenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576645
2,4-dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 110753573
2-(4-chlorophenyl)sulfanyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 56509489
(2R)-2-(4-chloro-2-methylphenoxy)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 31868158
(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
(2S)-2-(4-chloro-2-methylphenoxy)-N-(4-methylpiperazin-1-yl)propanamide
CID 7027007
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 63391336
1-[4-(4-chloro-2-methylphenoxy)butyl]piperidine
CID 2263109

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 56509742) is 2-(4-chloro-2-methylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide is Cc1cc(Cl)ccc1OC(C)C(=O)N(C)CCN1CCCC1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is SSAZDRDEHQJJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2/c1-13-12-15(18)6-7-16(13)22-14(2)17(21)19(3)10-11-20-8-4-5-9-20/h6-7,12,14H,4-5,8-11H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide?
2-(4-chloro-2-methylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 324.85 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-methyl-N-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 56509742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).