(2S)-2-(2,3-dimethylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide

C24H31NO3 — CID 100751316

IUPAC(2S)-2-(2,3-dimethylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H31NO3/c1-4-21(28-22-12-8-9-18(2)19(22)3)23(26)25-17-24(13-15-27-16-14-24)20-10-6-5-7-11-20/h5-12,21H,4,13-17H2,1-3H3,(H,25,26)/t21-/m0/s1
InChIKeyYNZADLKLCVZSNJ-NRFANRHFSA-N
MW381.52 g/mol
LogP4.33
Rot. Bonds7

About (2S)-2-(2,3-dimethylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide

(2S)-2-(2,3-dimethylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide (PubChem CID 100751316) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
PubChem CID100751316
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Name(2S)-2-(2,3-dimethylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C24H31NO3/c1-4-21(28-22-12-8-9-18(2)19(22)3)23(26)25-17-24(13-15-27-16-14-24)20-10-6-5-7-11-20/h5-12,21H,4,13-17H2,1-3H3,(H,25,26)/t21-/m0/s1
InChIKeyYNZADLKLCVZSNJ-NRFANRHFSA-N
XLogP4.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 133160705
2-(3-chlorophenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide
CID 133186777
(2S)-2-(2,3-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 28635390
2-(2,3-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)methyl]butanamide
CID 43886298
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
(2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676912
N-[(4-phenyloxan-4-yl)methyl]-2-phenylsulfanylpropanamide
CID 133210947
(2S)-N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-2-ethoxybutanamide
CID 94669671
(2S)-2-(2,3-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide
CID 92647459
(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99955131
(2R)-N-(2-benzylsulfanylethyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99954618
2-(4-methoxyphenoxy)-N-[(4-phenyloxan-4-yl)methyl]propanamide
CID 133228915

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide?
The IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide (CID 100751316) is (2S)-2-(2,3-dimethylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide.
What is the SMILES notation for (2S)-2-(2,3-dimethylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide?
The canonical SMILES for (2S)-2-(2,3-dimethylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide is CC[C@H](Oc1cccc(C)c1C)C(=O)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of (2S)-2-(2,3-dimethylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide?
The InChIKey is YNZADLKLCVZSNJ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H31NO3/c1-4-21(28-22-12-8-9-18(2)19(22)3)23(26)25-17-24(13-15-27-16-14-24)20-10-6-5-7-11-20/h5-12,21H,4,13-17H2,1-3H3,(H,25,26)/t21-/m0/s1.
What are the key properties of (2S)-2-(2,3-dimethylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide?
(2S)-2-(2,3-dimethylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide has a molecular weight of 381.52 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dimethylphenoxy)-N-[(4-phenyloxan-4-yl)methyl]butanamide is sourced from PubChem (CID 100751316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).