(2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide

C20H24ClNO3 — CID 93487712

IUPAC(2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccc(OC)cc1
InChIInChI=1S/C20H24ClNO3/c1-3-19(25-18-8-4-7-16(21)14-18)20(23)22-13-5-6-15-9-11-17(24-2)12-10-15/h4,7-12,14,19H,3,5-6,13H2,1-2H3,(H,22,23)/t19-/m0/s1
InChIKeyDQPQDTTUXLWHQP-IBGZPJMESA-N
MW361.87 g/mol
LogP4.26
Rot. Bonds9

About (2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide

(2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide (PubChem CID 93487712) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide
PubChem CID93487712
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccc(OC)cc1
InChIInChI=1S/C20H24ClNO3/c1-3-19(25-18-8-4-7-16(21)14-18)20(23)22-13-5-6-15-9-11-17(24-2)12-10-15/h4,7-12,14,19H,3,5-6,13H2,1-2H3,(H,22,23)/t19-/m0/s1
InChIKeyDQPQDTTUXLWHQP-IBGZPJMESA-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

(2R)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635444
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635445
(2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 94019406
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 132653897
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)butanamide
CID 132655794
(2R)-2-(3-chlorophenoxy)-N-[2-(4-propan-2-ylphenyl)ethyl]butanamide
CID 28573896
2-(4-methoxyphenoxy)-N-[3-(3-propan-2-yloxyphenyl)propyl]butanamide
CID 132658170
2-(4-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 132651550
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 92681450
2-(4-chlorophenoxy)-N-[3-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659526
2-(3-chlorophenoxy)-N-[2-(4-ethylphenoxy)ethyl]butanamide
CID 133239975

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide (CID 93487712) is (2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide is CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCc1ccc(OC)cc1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide?
The InChIKey is DQPQDTTUXLWHQP-IBGZPJMESA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-3-19(25-18-8-4-7-16(21)14-18)20(23)22-13-5-6-15-9-11-17(24-2)12-10-15/h4,7-12,14,19H,3,5-6,13H2,1-2H3,(H,22,23)/t19-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide?
(2S)-2-(3-chlorophenoxy)-N-[3-(4-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 (2S)-2-(3-chlorophenoxy)-N-[3-(4-methoxyphenyl)propyl]butanamide is sourced from PubChem (CID 93487712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).