2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide

C24H34N2O4 — CID 5487455

IUPAC2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide
SMILESCOc1ccc(C(C)(C)C)cc1[C@](O)(c1ccccc1OCC(N)=O)[C@@H](C)N(C)C
InChIInChI=1S/C24H34N2O4/c1-16(26(5)6)24(28,18-10-8-9-11-21(18)30-15-22(25)27)19-14-17(23(2,3)4)12-13-20(19)29-7/h8-14,16,28H,15H2,1-7H3,(H2,25,27)/t16-,24-/m1/s1
InChIKeyDLGGQRFVOGBFAX-VOIUYBSRSA-N
MW414.55 g/mol
LogP3.04
Rot. Bonds8

About 2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide

2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide (PubChem CID 5487455) has the molecular formula C24H34N2O4 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide
PubChem CID5487455
Molecular FormulaC24H34N2O4
Molecular Weight414.55 g/mol
Exact Mass414.25
IUPAC Name2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide
SMILESCOc1ccc(C(C)(C)C)cc1[C@](O)(c1ccccc1OCC(N)=O)[C@@H](C)N(C)C
InChIInChI=1S/C24H34N2O4/c1-16(26(5)6)24(28,18-10-8-9-11-21(18)30-15-22(25)27)19-14-17(23(2,3)4)12-13-20(19)29-7/h8-14,16,28H,15H2,1-7H3,(H2,25,27)/t16-,24-/m1/s1
InChIKeyDLGGQRFVOGBFAX-VOIUYBSRSA-N
XLogP3.04
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide with MolForge

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Related Compounds

2-(2-tert-butylphenoxy)acetamide
CID 17051379
2-amino-1,1-bis(5-tert-butyl-2-methoxyphenyl)-4-methylpentan-1-ol
CID 139698065
ethyl 2-amino-2-(5-tert-butyl-2-methoxyphenyl)butanoate
CID 3261124
2-(2-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 31183674
2-(2-bromo-4-tert-butylphenoxy)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 100513410
1-(3,4-dimethoxyphenyl)-1-(2-methoxyphenyl)ethanol
CID 62788494
2-(4-tert-butyl-2-formylphenoxy)acetamide
CID 175660582
3-amino-3-(5-tert-butyl-2-methoxyphenyl)butanoic acid
CID 82160103
1-amino-2-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 82049197
1-(4-tert-butylphenyl)-1-(2-methoxyphenyl)ethanol
CID 62549935
(2S)-1,1-bis(2-methoxyphenyl)propane-1,2-diol
CID 7707238
2-(2,4-ditert-butylphenoxy)acetic acid
CID 794760

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide?
The IUPAC name of 2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide (CID 5487455) is 2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide is COc1ccc(C(C)(C)C)cc1[C@](O)(c1ccccc1OCC(N)=O)[C@@H](C)N(C)C.
What is the InChIKey of 2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide?
The InChIKey is DLGGQRFVOGBFAX-VOIUYBSRSA-N. The full InChI is InChI=1S/C24H34N2O4/c1-16(26(5)6)24(28,18-10-8-9-11-21(18)30-15-22(25)27)19-14-17(23(2,3)4)12-13-20(19)29-7/h8-14,16,28H,15H2,1-7H3,(H2,25,27)/t16-,24-/m1/s1.
What are the key properties of 2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide?
2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide has a molecular weight of 414.55 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1R,2R)-1-(5-tert-butyl-2-methoxyphenyl)-2-(dimethylamino)-1-hydroxypropyl]phenoxy]acetamide is sourced from PubChem (CID 5487455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).