2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide

C19H22ClNO3 — CID 133239971

IUPAC2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NCCOCc1ccccc1
InChIInChI=1S/C19H22ClNO3/c1-2-18(24-17-10-6-9-16(20)13-17)19(22)21-11-12-23-14-15-7-4-3-5-8-15/h3-10,13,18H,2,11-12,14H2,1H3,(H,21,22)
InChIKeyBPHUSGZIIHHWKO-UHFFFAOYSA-N
MW347.84 g/mol
LogP3.83
Rot. Bonds9

About 2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide

2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide (PubChem CID 133239971) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
PubChem CID133239971
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
SMILESCCC(Oc1cccc(Cl)c1)C(=O)NCCOCc1ccccc1
InChIInChI=1S/C19H22ClNO3/c1-2-18(24-17-10-6-9-16(20)13-17)19(22)21-11-12-23-14-15-7-4-3-5-8-15/h3-10,13,18H,2,11-12,14H2,1H3,(H,21,22)
InChIKeyBPHUSGZIIHHWKO-UHFFFAOYSA-N
XLogP3.83
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.83
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

N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174
(2R)-N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 8891222
N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 13232131
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide
CID 133239975
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide
CID 46763081
(2S)-2-(2-fluorophenoxy)-N-(2-phenylmethoxyethyl)butanamide
CID 99818320
(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 28573896

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide (CID 133239971) is 2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide is CCC(Oc1cccc(Cl)c1)C(=O)NCCOCc1ccccc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide?
The InChIKey is BPHUSGZIIHHWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-2-18(24-17-10-6-9-16(20)13-17)19(22)21-11-12-23-14-15-7-4-3-5-8-15/h3-10,13,18H,2,11-12,14H2,1H3,(H,21,22).
What are the key properties of 2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide?
2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide has a molecular weight of 347.84 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(2-phenylmethoxyethyl)butanamide is sourced from PubChem (CID 133239971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).