propan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate

C14H17Cl2NO4 — CID 51256307

IUPACpropan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO4/c1-9(2)21-14(19)5-6-17-13(18)8-20-12-4-3-10(15)7-11(12)16/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyGBNILHJMJCMCKJ-UHFFFAOYSA-N
MW334.20 g/mol
LogP2.83
Rot. Bonds7

About propan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate

propan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate (PubChem CID 51256307) has the molecular formula C14H17Cl2NO4 and a molecular weight of 334.20 g/mol. Its IUPAC name is propan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
PubChem CID51256307
Molecular FormulaC14H17Cl2NO4
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC Namepropan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
SMILESCC(C)OC(=O)CCNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO4/c1-9(2)21-14(19)5-6-17-13(18)8-20-12-4-3-10(15)7-11(12)16/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyGBNILHJMJCMCKJ-UHFFFAOYSA-N
XLogP2.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate
CID 47437686
azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 175420675
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051
propan-2-yl 3-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]propanoate
CID 51256426
methyl 3-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]propanoate
CID 17401669
2-(2,4-dichlorophenoxy)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915108
2-(2,4-dichlorophenoxy)-N-[(3S)-3-hydroxypentyl]acetamide
CID 97096056
3-(4-chlorophenyl)-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]propanamide
CID 108541625
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
2-(2,4-dichlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 99993692
N-benzyl-3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanamide
CID 60608572
2-(2,4-dichlorophenoxy)-N-(3-hydroxy-4-methoxybutyl)acetamide
CID 103877357

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate?
The IUPAC name of propan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate (CID 51256307) is propan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate.
What is the SMILES notation for propan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate?
The canonical SMILES for propan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate is CC(C)OC(=O)CCNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of propan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate?
The InChIKey is GBNILHJMJCMCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO4/c1-9(2)21-14(19)5-6-17-13(18)8-20-12-4-3-10(15)7-11(12)16/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of propan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate?
propan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate has a molecular weight of 334.20 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[[2-(2,4-dichlorophenoxy)acetyl]amino]propanoate is sourced from PubChem (CID 51256307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).