(2S)-2-(3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)butanamide

C26H28N2O2 — CID 28988595

IUPAC(2S)-2-(3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)butanamide
SMILESCC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C26H28N2O2/c1-5-25(30-20-14-17(3)13-18(4)15-20)26(29)27-19-11-12-24-22(16-19)21-9-7-8-10-23(21)28(24)6-2/h7-16,25H,5-6H2,1-4H3,(H,27,29)/t25-/m0/s1
InChIKeyPYJAPCHBSPBPFS-VWLOTQADSA-N
MW400.52 g/mol
LogP6.23
Rot. Bonds6

About (2S)-2-(3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)butanamide

(2S)-2-(3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)butanamide (PubChem CID 28988595) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)butanamide
PubChem CID28988595
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name(2S)-2-(3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)butanamide
SMILESCC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C26H28N2O2/c1-5-25(30-20-14-17(3)13-18(4)15-20)26(29)27-19-11-12-24-22(16-19)21-9-7-8-10-23(21)28(24)6-2/h7-16,25H,5-6H2,1-4H3,(H,27,29)/t25-/m0/s1
InChIKeyPYJAPCHBSPBPFS-VWLOTQADSA-N
XLogP6.23
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9-ethylcarbazol-3-yl)-2-(3-methylphenoxy)butanamide
CID 43905053
N-(9-ethylcarbazol-3-yl)-2-(4-fluorophenoxy)butanamide
CID 17166239
(2R)-N-(9-ethylcarbazol-3-yl)-2-(4-methylphenoxy)propanamide
CID 1019882
2-(3,5-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 17034416
N-(3,4-difluorophenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 53288917
2-(4-bromophenoxy)-N-(9-ethylcarbazol-3-yl)propanamide
CID 18837985
N-(4-acetylphenyl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034445
2-(3,5-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659061
methyl 4-[2-(3,5-dimethylphenoxy)butanoylamino]benzoate
CID 17034486
phenyl N-(9-ethylcarbazol-3-yl)carbamate
CID 2182675
(2R)-N-(9-ethylcarbazol-3-yl)-2-(2-methylpyridin-1-ium-1-yl)propanamide
CID 8717773
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)butanamide?
The IUPAC name of (2S)-2-(3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)butanamide (CID 28988595) is (2S)-2-(3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)butanamide.
What is the SMILES notation for (2S)-2-(3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)butanamide?
The canonical SMILES for (2S)-2-(3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)butanamide is CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of (2S)-2-(3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)butanamide?
The InChIKey is PYJAPCHBSPBPFS-VWLOTQADSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-5-25(30-20-14-17(3)13-18(4)15-20)26(29)27-19-11-12-24-22(16-19)21-9-7-8-10-23(21)28(24)6-2/h7-16,25H,5-6H2,1-4H3,(H,27,29)/t25-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)butanamide?
(2S)-2-(3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)butanamide has a molecular weight of 400.52 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethylphenoxy)-N-(9-ethylcarbazol-3-yl)butanamide is sourced from PubChem (CID 28988595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).