2-chloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]propanamide

C15H21ClN2O3 — CID 108574553

IUPAC2-chloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]propanamide
SMILESCCc1ccccc1OCC(=O)NCCNC(=O)C(C)Cl
InChIInChI=1S/C15H21ClN2O3/c1-3-12-6-4-5-7-13(12)21-10-14(19)17-8-9-18-15(20)11(2)16/h4-7,11H,3,8-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyWKFHHURXIKIFMU-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.49
Rot. Bonds8

About 2-chloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]propanamide

2-chloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]propanamide (PubChem CID 108574553) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 2-chloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]propanamide
PubChem CID108574553
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name2-chloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]propanamide
SMILESCCc1ccccc1OCC(=O)NCCNC(=O)C(C)Cl
InChIInChI=1S/C15H21ClN2O3/c1-3-12-6-4-5-7-13(12)21-10-14(19)17-8-9-18-15(20)11(2)16/h4-7,11H,3,8-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyWKFHHURXIKIFMU-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
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-ethylphenoxy)acetyl]amino]ethyl]-3-methylbutanamide
CID 108538543
N'-(2-chloroacetyl)-2-(2-ethylphenoxy)acetohydrazide
CID 166414704
2-[2-[2-(2-acetamidoethylamino)-2-oxoethoxy]phenyl]acetic acid
CID 80723765
2-(2-ethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 44669949
N-[(2R)-2-(ethylamino)propyl]-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 120653148
2,5-dichloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]benzamide
CID 108542215
2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2709267
2-(2-ethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144695
2-(2-ethylphenoxy)-N-[2-[(4-ethylphenyl)sulfonylamino]ethyl]acetamide
CID 108574520
2-[2-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43277187
ethyl 2-[[2-(2-ethylphenoxy)acetyl]amino]-3-methylbutanoate
CID 171703945
N-(2-acetamidoethyl)-2-[2-(methylaminomethyl)phenoxy]acetamide
CID 106484641

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]propanamide?
The IUPAC name of 2-chloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]propanamide (CID 108574553) is 2-chloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]propanamide.
What is the SMILES notation for 2-chloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]propanamide?
The canonical SMILES for 2-chloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]propanamide is CCc1ccccc1OCC(=O)NCCNC(=O)C(C)Cl.
What is the InChIKey of 2-chloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]propanamide?
The InChIKey is WKFHHURXIKIFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-3-12-6-4-5-7-13(12)21-10-14(19)17-8-9-18-15(20)11(2)16/h4-7,11H,3,8-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 2-chloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]propanamide?
2-chloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]propanamide has a molecular weight of 312.80 g/mol, XLogP of 1.49, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[2-(2-ethylphenoxy)acetyl]amino]ethyl]propanamide is sourced from PubChem (CID 108574553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).