N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide

C18H20ClNO3 — CID 94868069

IUPACN-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO3/c19-15-8-10-17(11-9-15)23-14-12-20-18(21)7-4-13-22-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2,(H,20,21)
InChIKeyAZIGAKYOECQHDR-UHFFFAOYSA-N
MW333.81 g/mol
LogP3.69
Rot. Bonds9

About N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide

N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide (PubChem CID 94868069) has the molecular formula C18H20ClNO3 and a molecular weight of 333.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
PubChem CID94868069
Molecular FormulaC18H20ClNO3
Molecular Weight333.81 g/mol
Exact Mass333.11
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCCOc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO3/c19-15-8-10-17(11-9-15)23-14-12-20-18(21)7-4-13-22-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2,(H,20,21)
InChIKeyAZIGAKYOECQHDR-UHFFFAOYSA-N
XLogP3.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.81
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522
4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide
CID 26903822
4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 21367640
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-phenoxybutanamide
CID 110285273
6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464
N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
CID 27861644
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
5-bromo-N-(3-phenoxypropyl)pentanamide
CID 107909983
N-[2-(4-chlorophenoxy)ethyl]-4-(1H-indol-3-yl)butanamide
CID 588709
N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide
CID 55017381
4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide
CID 108934823

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide (CID 94868069) is N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)NCCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide?
The InChIKey is AZIGAKYOECQHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c19-15-8-10-17(11-9-15)23-14-12-20-18(21)7-4-13-22-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2,(H,20,21).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide?
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide has a molecular weight of 333.81 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide is sourced from PubChem (CID 94868069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).