4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide

C15H22Cl2N2O2 — CID 120653975

IUPAC4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
SMILESCCN[C@H](C)CNC(=O)CCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C15H22Cl2N2O2/c1-3-18-11(2)10-19-14(20)8-5-9-21-13-7-4-6-12(16)15(13)17/h4,6-7,11,18H,3,5,8-10H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyOYMWZFNZAUALIM-LLVKDONJSA-N
MW333.26 g/mol
LogP3.27
Rot. Bonds9

About 4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide

4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide (PubChem CID 120653975) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide.

Molecular Properties

Compound Name4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
PubChem CID120653975
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
SMILESCCN[C@H](C)CNC(=O)CCCOc1cccc(Cl)c1Cl
InChIInChI=1S/C15H22Cl2N2O2/c1-3-18-11(2)10-19-14(20)8-5-9-21-13-7-4-6-12(16)15(13)17/h4,6-7,11,18H,3,5,8-10H2,1-2H3,(H,19,20)/t11-/m1/s1
InChIKeyOYMWZFNZAUALIM-LLVKDONJSA-N
XLogP3.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120654441
3-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120651359
4-(2,3-dichlorophenoxy)-N-[2-(ethylamino)ethyl]butanamide
CID 119508138
4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650673
N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
CID 120651118
4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650627
4-(2,3-dichlorophenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]butanamide
CID 86850793
N-[(2R)-2-(ethylamino)propyl]-3-(2-fluorophenoxy)propanamide
CID 120650525
4-(3-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120654445
4-(4-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120653275
2-(2,6-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120653936
N-[(2R)-2-(ethylamino)propyl]-3-(4-propan-2-ylphenoxy)propanamide
CID 120654775

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide?
The IUPAC name of 4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide (CID 120653975) is 4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide.
What is the SMILES notation for 4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide?
The canonical SMILES for 4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide is CCN[C@H](C)CNC(=O)CCCOc1cccc(Cl)c1Cl.
What is the InChIKey of 4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide?
The InChIKey is OYMWZFNZAUALIM-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2/c1-3-18-11(2)10-19-14(20)8-5-9-21-13-7-4-6-12(16)15(13)17/h4,6-7,11,18H,3,5,8-10H2,1-2H3,(H,19,20)/t11-/m1/s1.
What are the key properties of 4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide?
4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide has a molecular weight of 333.26 g/mol, XLogP of 3.27, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide is sourced from PubChem (CID 120653975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).