N-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide

C20H23ClN2O3 — CID 33014645

IUPACN-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C20H23ClN2O3/c1-13(2)20(25)23-17-6-4-5-15(10-17)11-22-19(24)12-26-18-8-7-16(21)9-14(18)3/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyQVNNRWHIFMMOKN-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.94
Rot. Bonds7

About N-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide

N-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide (PubChem CID 33014645) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide
PubChem CID33014645
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide
SMILESCc1cc(Cl)ccc1OCC(=O)NCc1cccc(NC(=O)C(C)C)c1
InChIInChI=1S/C20H23ClN2O3/c1-13(2)20(25)23-17-6-4-5-15(10-17)11-22-19(24)12-26-18-8-7-16(21)9-14(18)3/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyQVNNRWHIFMMOKN-UHFFFAOYSA-N
XLogP3.94
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 33013614
2-(4-chloro-2-methylphenoxy)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 31916474
N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 39575947
2-(4-chloro-2-methylphenoxy)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55712262
N-benzyl-3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
CID 28638799
2-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methyl]acetamide
CID 3624933
N-[3-[(3-chloropropanoylamino)methyl]phenyl]-2-methylpropanamide
CID 43347121
N-[3-[[[2-(3-fluoro-4-methoxyphenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 33015490
2-cyano-N-[3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923905
4-(4-chloro-2-methylphenoxy)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide
CID 55797087
2-(4-chloro-2-methylphenoxy)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide
CID 46436874
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9299910

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide (CID 33014645) is N-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide is Cc1cc(Cl)ccc1OCC(=O)NCc1cccc(NC(=O)C(C)C)c1.
What is the InChIKey of N-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide?
The InChIKey is QVNNRWHIFMMOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-13(2)20(25)23-17-6-4-5-15(10-17)11-22-19(24)12-26-18-8-7-16(21)9-14(18)3/h4-10,13H,11-12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide?
N-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide has a molecular weight of 374.87 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 33014645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).