(2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide

C20H24ClNO3 — CID 94019406

IUPAC(2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
SMILESCC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCc1cccc(OC)c1
InChIInChI=1S/C20H24ClNO3/c1-3-19(25-18-11-5-9-16(21)14-18)20(23)22-12-6-8-15-7-4-10-17(13-15)24-2/h4-5,7,9-11,13-14,19H,3,6,8,12H2,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeyGIZPGJLIKFQREB-LJQANCHMSA-N
MW361.87 g/mol
LogP4.26
Rot. Bonds9

About (2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide

(2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide (PubChem CID 94019406) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
PubChem CID94019406
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
SMILESCC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCc1cccc(OC)c1
InChIInChI=1S/C20H24ClNO3/c1-3-19(25-18-11-5-9-16(21)14-18)20(23)22-12-6-8-15-7-4-10-17(13-15)24-2/h4-5,7,9-11,13-14,19H,3,6,8,12H2,1-2H3,(H,22,23)/t19-/m1/s1
InChIKeyGIZPGJLIKFQREB-LJQANCHMSA-N
XLogP4.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.26
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

(2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide
CID 93487712
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 132653897
2-(4-tert-butylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 132657819
2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide
CID 132658170
(2R)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635444
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635445
(2S)-N-[3-(3-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100654873
(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 30381733
(2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide
CID 92683293
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide (CID 94019406) is (2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide is CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCc1cccc(OC)c1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide?
The InChIKey is GIZPGJLIKFQREB-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-3-19(25-18-11-5-9-16(21)14-18)20(23)22-12-6-8-15-7-4-10-17(13-15)24-2/h4-5,7,9-11,13-14,19H,3,6,8,12H2,1-2H3,(H,22,23)/t19-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide?
(2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide has a molecular weight of 361.87 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide is sourced from PubChem (CID 94019406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).