(2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide

C25H35NO3 — CID 28566665

IUPAC(2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C25H35NO3/c1-17(2)16-23(19-8-12-21(28-7)13-9-19)26-24(27)18(3)29-22-14-10-20(11-15-22)25(4,5)6/h8-15,17-18,23H,16H2,1-7H3,(H,26,27)/t18-,23+/m1/s1
InChIKeyYNNIZCSQNDSSTK-JPYJTQIMSA-N
MW397.56 g/mol
LogP5.66
Rot. Bonds8

About (2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide

(2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide (PubChem CID 28566665) has the molecular formula C25H35NO3 and a molecular weight of 397.56 g/mol. Its IUPAC name is (2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
PubChem CID28566665
Molecular FormulaC25H35NO3
Molecular Weight397.56 g/mol
Exact Mass397.26
IUPAC Name(2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C25H35NO3/c1-17(2)16-23(19-8-12-21(28-7)13-9-19)26-24(27)18(3)29-22-14-10-20(11-15-22)25(4,5)6/h8-15,17-18,23H,16H2,1-7H3,(H,26,27)/t18-,23+/m1/s1
InChIKeyYNNIZCSQNDSSTK-JPYJTQIMSA-N
XLogP5.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.56
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide with MolForge

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Related Compounds

(2R)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenoxy)propanamide
CID 92679616
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132666166
(2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92685363
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132655454
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-2-yloxypropanamide
CID 94018574
(2S)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 94019584
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide
CID 93487722
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2,2-dimethylpropanamide
CID 100743522
(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide
CID 41198910
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide
CID 92671905
(2R)-2-(2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92674399
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)propanamide
CID 28956661

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide?
The IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide (CID 28566665) is (2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide.
What is the SMILES notation for (2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide?
The canonical SMILES for (2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide is COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of (2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide?
The InChIKey is YNNIZCSQNDSSTK-JPYJTQIMSA-N. The full InChI is InChI=1S/C25H35NO3/c1-17(2)16-23(19-8-12-21(28-7)13-9-19)26-24(27)18(3)29-22-14-10-20(11-15-22)25(4,5)6/h8-15,17-18,23H,16H2,1-7H3,(H,26,27)/t18-,23+/m1/s1.
What are the key properties of (2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide?
(2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide has a molecular weight of 397.56 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide is sourced from PubChem (CID 28566665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).