(2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide

C22H29NO2 — CID 94015885

IUPAC(2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide
SMILESCCCCc1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2C)cc1
InChIInChI=1S/C22H29NO2/c1-5-7-10-18-12-14-19(15-13-18)23-22(24)20(6-2)25-21-11-8-9-16(3)17(21)4/h8-9,11-15,20H,5-7,10H2,1-4H3,(H,23,24)/t20-/m0/s1
InChIKeyXOQGTTBLXVSWAS-FQEVSTJZSA-N
MW339.48 g/mol
LogP5.44
Rot. Bonds8

About (2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide

(2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide (PubChem CID 94015885) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is (2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide
PubChem CID94015885
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name(2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide
SMILESCCCCc1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2C)cc1
InChIInChI=1S/C22H29NO2/c1-5-7-10-18-12-14-19(15-13-18)23-22(24)20(6-2)25-21-11-8-9-16(3)17(21)4/h8-9,11-15,20H,5-7,10H2,1-4H3,(H,23,24)/t20-/m0/s1
InChIKeyXOQGTTBLXVSWAS-FQEVSTJZSA-N
XLogP5.44
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,3-dimethylphenoxy)-N-(4-ethylphenyl)butanamide
CID 92679319
N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43905153
N-(4-bromophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43885352
(2R)-2-(2,3-dimethylphenoxy)-N-[4-(trifluoromethyl)phenyl]butanamide
CID 28958403
N-(4-butylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 43907479
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43910432
(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 92676986
2-(2,3-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)butanamide
CID 133166851
(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99955131
(2S)-2-(2,3-dimethylphenoxy)-N-(3-propan-2-yloxyphenyl)butanamide
CID 28575504
(2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 92682220

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide?
The IUPAC name of (2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide (CID 94015885) is (2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide?
The canonical SMILES for (2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide is CCCCc1ccc(NC(=O)[C@H](CC)Oc2cccc(C)c2C)cc1.
What is the InChIKey of (2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide?
The InChIKey is XOQGTTBLXVSWAS-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29NO2/c1-5-7-10-18-12-14-19(15-13-18)23-22(24)20(6-2)25-21-11-8-9-16(3)17(21)4/h8-9,11-15,20H,5-7,10H2,1-4H3,(H,23,24)/t20-/m0/s1.
What are the key properties of (2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide?
(2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide has a molecular weight of 339.48 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)butanamide is sourced from PubChem (CID 94015885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).