2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide

C23H31NO4 — CID 142673464

IUPAC2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide
SMILESCOc1cc(CCNC(=O)C(O)CCc2ccc(C)cc2)ccc1OC(C)C
InChIInChI=1S/C23H31NO4/c1-16(2)28-21-12-10-19(15-22(21)27-4)13-14-24-23(26)20(25)11-9-18-7-5-17(3)6-8-18/h5-8,10,12,15-16,20,25H,9,11,13-14H2,1-4H3,(H,24,26)
InChIKeyNNKWXEGZUIEUII-UHFFFAOYSA-N
MW385.50 g/mol
LogP3.44
Rot. Bonds10

About 2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide

2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide (PubChem CID 142673464) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide
PubChem CID142673464
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide
SMILESCOc1cc(CCNC(=O)C(O)CCc2ccc(C)cc2)ccc1OC(C)C
InChIInChI=1S/C23H31NO4/c1-16(2)28-21-12-10-19(15-22(21)27-4)13-14-24-23(26)20(25)11-9-18-7-5-17(3)6-8-18/h5-8,10,12,15-16,20,25H,9,11,13-14H2,1-4H3,(H,24,26)
InChIKeyNNKWXEGZUIEUII-UHFFFAOYSA-N
XLogP3.44
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-(4-methylphenoxy)-2-propan-2-yloxypropanamide
CID 142673390
(2S)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-phenylbutanamide
CID 142673511
3-(3-methoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)propan-1-ol
CID 82185677
(2S)-4-(4-chlorophenyl)-2-methoxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide
CID 142673521
2-methoxyimino-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 72650250
(2S)-3-(4-chlorophenoxy)-2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]propanamide
CID 142673407
4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-yloxybutanamide
CID 142673515
(2R)-2-ethoxy-4-(4-fluorophenyl)-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]butanamide
CID 142673411
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133186748
(2R)-4-(4-fluorophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide
CID 87258583
N-[1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 51143667
3-(3,4-dimethoxyphenyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 33155420

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide?
The IUPAC name of 2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide (CID 142673464) is 2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide.
What is the SMILES notation for 2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide?
The canonical SMILES for 2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide is COc1cc(CCNC(=O)C(O)CCc2ccc(C)cc2)ccc1OC(C)C.
What is the InChIKey of 2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide?
The InChIKey is NNKWXEGZUIEUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-16(2)28-21-12-10-19(15-22(21)27-4)13-14-24-23(26)20(25)11-9-18-7-5-17(3)6-8-18/h5-8,10,12,15-16,20,25H,9,11,13-14H2,1-4H3,(H,24,26).
What are the key properties of 2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide?
2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide has a molecular weight of 385.50 g/mol, XLogP of 3.44, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(4-methylphenyl)butanamide is sourced from PubChem (CID 142673464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).