4-[[2-(4-chloro-2-methylphenoxy)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide

C22H27ClN2O3 — CID 56511419

IUPAC4-[[2-(4-chloro-2-methylphenoxy)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C(C)Oc1ccc(Cl)cc1C
InChIInChI=1S/C22H27ClN2O3/c1-6-25(14-17-7-9-18(10-8-17)22(27)24(4)5)21(26)16(3)28-20-12-11-19(23)13-15(20)2/h7-13,16H,6,14H2,1-5H3
InChIKeyUQUWFZNYCVDUFH-UHFFFAOYSA-N
MW402.92 g/mol
LogP4.17
Rot. Bonds7

About 4-[[2-(4-chloro-2-methylphenoxy)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide

4-[[2-(4-chloro-2-methylphenoxy)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide (PubChem CID 56511419) has the molecular formula C22H27ClN2O3 and a molecular weight of 402.92 g/mol. Its IUPAC name is 4-[[2-(4-chloro-2-methylphenoxy)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-chloro-2-methylphenoxy)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
PubChem CID56511419
Molecular FormulaC22H27ClN2O3
Molecular Weight402.92 g/mol
Exact Mass402.17
IUPAC Name4-[[2-(4-chloro-2-methylphenoxy)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C(C)Oc1ccc(Cl)cc1C
InChIInChI=1S/C22H27ClN2O3/c1-6-25(14-17-7-9-18(10-8-17)22(27)24(4)5)21(26)16(3)28-20-12-11-19(23)13-15(20)2/h7-13,16H,6,14H2,1-5H3
InChIKeyUQUWFZNYCVDUFH-UHFFFAOYSA-N
XLogP4.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.92
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-chloro-2-methylphenoxy)-N-methylpropanamide
CID 112787380
2-(4-chloro-2-methylphenoxy)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide
CID 86997262
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 79291324
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)propanoate
CID 43032860
2-(4-chloro-2-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4198833
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
N,N-diethyl-3-methyl-4-propan-2-yloxybenzamide
CID 110762336
N-benzyl-2-(4-chloro-2-methylphenoxy)-N-ethylacetamide
CID 112978890
2-(2,4-dichlorophenoxy)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771866
silver 2-(4-chloro-2-methylphenoxy)propanoate
CID 159374352
magnesium 2-(4-chloro-2-methylphenoxy)propanoate
CID 3015469
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chloro-2-methylphenoxy)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-(4-chloro-2-methylphenoxy)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide (CID 56511419) is 4-[[2-(4-chloro-2-methylphenoxy)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-(4-chloro-2-methylphenoxy)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-(4-chloro-2-methylphenoxy)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)C(C)Oc1ccc(Cl)cc1C.
What is the InChIKey of 4-[[2-(4-chloro-2-methylphenoxy)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide?
The InChIKey is UQUWFZNYCVDUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O3/c1-6-25(14-17-7-9-18(10-8-17)22(27)24(4)5)21(26)16(3)28-20-12-11-19(23)13-15(20)2/h7-13,16H,6,14H2,1-5H3.
What are the key properties of 4-[[2-(4-chloro-2-methylphenoxy)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide?
4-[[2-(4-chloro-2-methylphenoxy)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide has a molecular weight of 402.92 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chloro-2-methylphenoxy)propanoyl-ethylamino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 56511419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).