(2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide

C18H27NO3 — CID 1301403

IUPAC(2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C18H27NO3/c1-13(17(20)19-12-16-6-5-11-21-16)22-15-9-7-14(8-10-15)18(2,3)4/h7-10,13,16H,5-6,11-12H2,1-4H3,(H,19,20)/t13-,16-/m1/s1
InChIKeyKIRMYYLJPZYICS-CZUORRHYSA-N
MW305.42 g/mol
LogP3.05
Rot. Bonds5

About (2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide

(2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide (PubChem CID 1301403) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
PubChem CID1301403
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
SMILESC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@H]1CCCO1
InChIInChI=1S/C18H27NO3/c1-13(17(20)19-12-16-6-5-11-21-16)22-15-9-7-14(8-10-15)18(2,3)4/h7-10,13,16H,5-6,11-12H2,1-4H3,(H,19,20)/t13-,16-/m1/s1
InChIKeyKIRMYYLJPZYICS-CZUORRHYSA-N
XLogP3.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
3-[2-(4-tert-butylphenoxy)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 17202386
(2S)-2-(4-nitrophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7354724
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7394619
1-[[(2R)-oxolan-2-yl]methyl]-3-[[(2S)-2-[4-(2-phenylpropan-2-yl)phenoxy]propanoyl]amino]thiourea
CID 42561445
2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 19203851
2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2932985
(2R)-2-(2,3-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 28984853
4-[(4-tert-butylphenoxy)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 6914711
(2S)-2-(4-tert-butylphenoxy)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 100577812
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide (CID 1301403) is (2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide is C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC[C@H]1CCCO1.
What is the InChIKey of (2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
The InChIKey is KIRMYYLJPZYICS-CZUORRHYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-13(17(20)19-12-16-6-5-11-21-16)22-15-9-7-14(8-10-15)18(2,3)4/h7-10,13,16H,5-6,11-12H2,1-4H3,(H,19,20)/t13-,16-/m1/s1.
What are the key properties of (2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide?
(2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide has a molecular weight of 305.42 g/mol, XLogP of 3.05, 5 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-[[(2R)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 1301403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).