4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide

C15H23ClN2O2 — CID 120654441

IUPAC4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
SMILESCCN[C@H](C)CNC(=O)CCCOc1ccccc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-3-17-12(2)11-18-15(19)9-6-10-20-14-8-5-4-7-13(14)16/h4-5,7-8,12,17H,3,6,9-11H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyXZKPVNOWISCRRO-GFCCVEGCSA-N
MW298.81 g/mol
LogP2.61
Rot. Bonds9

About 4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide

4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide (PubChem CID 120654441) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
PubChem CID120654441
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
SMILESCCN[C@H](C)CNC(=O)CCCOc1ccccc1Cl
InChIInChI=1S/C15H23ClN2O2/c1-3-17-12(2)11-18-15(19)9-6-10-20-14-8-5-4-7-13(14)16/h4-5,7-8,12,17H,3,6,9-11H2,1-2H3,(H,18,19)/t12-/m1/s1
InChIKeyXZKPVNOWISCRRO-GFCCVEGCSA-N
XLogP2.61
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.61
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

3-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120651359
4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120653975
N-[(2R)-2-(ethylamino)propyl]-4-phenoxybutanamide;hydrochloride
CID 120651118
N-[(2R)-2-(ethylamino)propyl]-3-(2-fluorophenoxy)propanamide
CID 120650525
4-(2,4-difluorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650673
4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650627
N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide
CID 119499643
3-[3-(2-chlorophenoxy)propanoylamino]-2-methylpropanoic acid
CID 62676014
4-(2-chlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]butanamide
CID 94821455
4-(4-acetylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120653275
4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide
CID 3619651
4-(2-chlorophenoxy)-N-[2-(ethylsulfonylamino)ethyl]butanamide
CID 108573011

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide (CID 120654441) is 4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide is CCN[C@H](C)CNC(=O)CCCOc1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide?
The InChIKey is XZKPVNOWISCRRO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-3-17-12(2)11-18-15(19)9-6-10-20-14-8-5-4-7-13(14)16/h4-5,7-8,12,17H,3,6,9-11H2,1-2H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide?
4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide has a molecular weight of 298.81 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide is sourced from PubChem (CID 120654441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).