3-chloro-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]propanamide

C15H21ClN2O3 — CID 108572559

IUPAC3-chloro-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]propanamide
SMILESCc1cccc(OCC(=O)NCCNC(=O)CCCl)c1C
InChIInChI=1S/C15H21ClN2O3/c1-11-4-3-5-13(12(11)2)21-10-15(20)18-9-8-17-14(19)6-7-16/h3-5H,6-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyRTNRBHYVMGYCPX-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.54
Rot. Bonds8

About 3-chloro-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]propanamide

3-chloro-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]propanamide (PubChem CID 108572559) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-chloro-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]propanamide
PubChem CID108572559
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name3-chloro-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]propanamide
SMILESCc1cccc(OCC(=O)NCCNC(=O)CCCl)c1C
InChIInChI=1S/C15H21ClN2O3/c1-11-4-3-5-13(12(11)2)21-10-15(20)18-9-8-17-14(19)6-7-16/h3-5H,6-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyRTNRBHYVMGYCPX-UHFFFAOYSA-N
XLogP1.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108540659
2-(3,4-dimethylphenoxy)-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108541272
N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]-2,2-diphenylacetamide
CID 108538583
2-(2,3-dimethylphenoxy)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861418
2-[[2-(2,3-dimethylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9300913
2-(2,3-dimethylphenoxy)-N-methoxyacetamide
CID 60717689
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]butanamide
CID 108572761
2-(2,3-dimethylphenoxy)-N-[2-(1,2,4-triazol-1-yl)ethyl]acetamide
CID 91779093
methyl 4-[2-[2-(2,3-dimethylphenoxy)acetyl]hydrazinyl]-4-oxobutanoate
CID 17343916
2-(2,3-dimethylphenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106124065
2-(2,3-dimethylphenoxy)-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 103899529
N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide
CID 108572434

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]propanamide?
The IUPAC name of 3-chloro-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]propanamide (CID 108572559) is 3-chloro-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]propanamide is Cc1cccc(OCC(=O)NCCNC(=O)CCCl)c1C.
What is the InChIKey of 3-chloro-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]propanamide?
The InChIKey is RTNRBHYVMGYCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-11-4-3-5-13(12(11)2)21-10-15(20)18-9-8-17-14(19)6-7-16/h3-5H,6-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-chloro-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]propanamide?
3-chloro-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]propanamide has a molecular weight of 312.80 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]propanamide is sourced from PubChem (CID 108572559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).