2-(3-tert-butylphenoxy)-N-(2-cyano-3-methylbutan-2-yl)propanamide

C19H28N2O2 — CID 112786159

IUPAC2-(3-tert-butylphenoxy)-N-(2-cyano-3-methylbutan-2-yl)propanamide
SMILESCC(Oc1cccc(C(C)(C)C)c1)C(=O)NC(C)(C#N)C(C)C
InChIInChI=1S/C19H28N2O2/c1-13(2)19(7,12-20)21-17(22)14(3)23-16-10-8-9-15(11-16)18(4,5)6/h8-11,13-14H,1-7H3,(H,21,22)
InChIKeyUVZHJSLQNMSGLX-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.81
Rot. Bonds5

About 2-(3-tert-butylphenoxy)-N-(2-cyano-3-methylbutan-2-yl)propanamide

2-(3-tert-butylphenoxy)-N-(2-cyano-3-methylbutan-2-yl)propanamide (PubChem CID 112786159) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-(3-tert-butylphenoxy)-N-(2-cyano-3-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-tert-butylphenoxy)-N-(2-cyano-3-methylbutan-2-yl)propanamide
PubChem CID112786159
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name2-(3-tert-butylphenoxy)-N-(2-cyano-3-methylbutan-2-yl)propanamide
SMILESCC(Oc1cccc(C(C)(C)C)c1)C(=O)NC(C)(C#N)C(C)C
InChIInChI=1S/C19H28N2O2/c1-13(2)19(7,12-20)21-17(22)14(3)23-16-10-8-9-15(11-16)18(4,5)6/h8-11,13-14H,1-7H3,(H,21,22)
InChIKeyUVZHJSLQNMSGLX-UHFFFAOYSA-N
XLogP3.81
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3-nitrophenoxy)propanamide
CID 7865335
2-(3-tert-butylphenoxy)-N-prop-2-ynylpropanamide
CID 47144757
N-[4-[2-(3-tert-butylphenoxy)propanoylamino]phenyl]-2-methylpropanamide
CID 55770987
N-(2-cyano-3-methylbutan-2-yl)-2-(2,3,4-trichlorophenoxy)propanamide
CID 67880923
N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 11262655
N-(2-cyano-3-methylbutan-2-yl)-2-(2,4-diaminophenoxy)propanamide
CID 141161861
[1-[(2-cyano-3-methylbutan-2-yl)amino]-1-oxopropan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 46791507
N-[(2R)-2-cyano-3-methylbutan-2-yl]-3-methoxybenzamide
CID 39963760
(2R)-2-(2-chloro-4-fluorophenoxy)-N-[(2R)-2-cyano-3-methylbutan-2-yl]propanamide
CID 7872711
methyl 3-[2-(3-tert-butylphenoxy)propanoylamino]butanoate
CID 60559643
cis-(1S,3R)-3-[2-(3-tert-butylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120676520
(2R)-2-(3-tert-butylphenoxy)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 51958490

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenoxy)-N-(2-cyano-3-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(3-tert-butylphenoxy)-N-(2-cyano-3-methylbutan-2-yl)propanamide (CID 112786159) is 2-(3-tert-butylphenoxy)-N-(2-cyano-3-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(3-tert-butylphenoxy)-N-(2-cyano-3-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(3-tert-butylphenoxy)-N-(2-cyano-3-methylbutan-2-yl)propanamide is CC(Oc1cccc(C(C)(C)C)c1)C(=O)NC(C)(C#N)C(C)C.
What is the InChIKey of 2-(3-tert-butylphenoxy)-N-(2-cyano-3-methylbutan-2-yl)propanamide?
The InChIKey is UVZHJSLQNMSGLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13(2)19(7,12-20)21-17(22)14(3)23-16-10-8-9-15(11-16)18(4,5)6/h8-11,13-14H,1-7H3,(H,21,22).
What are the key properties of 2-(3-tert-butylphenoxy)-N-(2-cyano-3-methylbutan-2-yl)propanamide?
2-(3-tert-butylphenoxy)-N-(2-cyano-3-methylbutan-2-yl)propanamide has a molecular weight of 316.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenoxy)-N-(2-cyano-3-methylbutan-2-yl)propanamide is sourced from PubChem (CID 112786159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).