2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-methylpropanamide

C21H25ClN2O5 — CID 132666400

IUPAC2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccccc1Cl)C(=O)COc1cc(OC)cc(OC)c1
InChIInChI=1S/C21H25ClN2O5/c1-14(21(26)23-2)24(12-15-7-5-6-8-19(15)22)20(25)13-29-18-10-16(27-3)9-17(11-18)28-4/h5-11,14H,12-13H2,1-4H3,(H,23,26)
InChIKeyKLLYFTVBBZRYBJ-UHFFFAOYSA-N
MW420.89 g/mol
LogP2.90
Rot. Bonds9

About 2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-methylpropanamide

2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-methylpropanamide (PubChem CID 132666400) has the molecular formula C21H25ClN2O5 and a molecular weight of 420.89 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-methylpropanamide
PubChem CID132666400
Molecular FormulaC21H25ClN2O5
Molecular Weight420.89 g/mol
Exact Mass420.15
IUPAC Name2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-methylpropanamide
SMILESCNC(=O)C(C)N(Cc1ccccc1Cl)C(=O)COc1cc(OC)cc(OC)c1
InChIInChI=1S/C21H25ClN2O5/c1-14(21(26)23-2)24(12-15-7-5-6-8-19(15)22)20(25)13-29-18-10-16(27-3)9-17(11-18)28-4/h5-11,14H,12-13H2,1-4H3,(H,23,26)
InChIKeyKLLYFTVBBZRYBJ-UHFFFAOYSA-N
XLogP2.90
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.89
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132674608
2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-cyclohexylpropanamide
CID 132617876
2-[[2-(4-bromophenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 132671942
2-[(2-chlorophenyl)methyl-[2-(2-fluorophenoxy)acetyl]amino]-N-methylpropanamide
CID 132656883
2-[[2-(4-methoxyphenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 132655540
N-butyl-2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]butanamide
CID 132724100
2-[(2-chlorophenyl)methyl-[2-(3,5-dimethylphenoxy)acetyl]amino]-N-(2-methylpropyl)propanamide
CID 132711673
2-[[2-(2-bromo-4-tert-butylphenoxy)acetyl]-[(2-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 132679379
(2S)-N-[(2S)-butan-2-yl]-2-[(2,6-dichlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]propanamide
CID 100596563
(2R)-2-[(2-chlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 100676235
2-[(2-chlorophenyl)methyl-[2-(4-methylphenoxy)acetyl]amino]-N-propan-2-ylpropanamide
CID 132662001
(2S)-2-[[2-(4-chlorophenoxy)acetyl]-[(2-methylphenyl)methyl]amino]-N-methylpropanamide
CID 100568123

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-methylpropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-methylpropanamide (CID 132666400) is 2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-methylpropanamide is CNC(=O)C(C)N(Cc1ccccc1Cl)C(=O)COc1cc(OC)cc(OC)c1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-methylpropanamide?
The InChIKey is KLLYFTVBBZRYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O5/c1-14(21(26)23-2)24(12-15-7-5-6-8-19(15)22)20(25)13-29-18-10-16(27-3)9-17(11-18)28-4/h5-11,14H,12-13H2,1-4H3,(H,23,26).
What are the key properties of 2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-methylpropanamide?
2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-methylpropanamide has a molecular weight of 420.89 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-[2-(3,5-dimethoxyphenoxy)acetyl]amino]-N-methylpropanamide is sourced from PubChem (CID 132666400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).