2-(4-tert-butylphenoxy)-N-cyclopropyl-N-(pyridin-4-ylmethyl)propanamide

C22H28N2O2 — CID 55602806

IUPAC2-(4-tert-butylphenoxy)-N-cyclopropyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C22H28N2O2/c1-16(26-20-9-5-18(6-10-20)22(2,3)4)21(25)24(19-7-8-19)15-17-11-13-23-14-12-17/h5-6,9-14,16,19H,7-8,15H2,1-4H3
InChIKeyXARILZSYDWBMGT-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.34
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-cyclopropyl-N-(pyridin-4-ylmethyl)propanamide

2-(4-tert-butylphenoxy)-N-cyclopropyl-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 55602806) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-cyclopropyl-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-cyclopropyl-N-(pyridin-4-ylmethyl)propanamide
PubChem CID55602806
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-(4-tert-butylphenoxy)-N-cyclopropyl-N-(pyridin-4-ylmethyl)propanamide
SMILESCC(Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccncc1)C1CC1
InChIInChI=1S/C22H28N2O2/c1-16(26-20-9-5-18(6-10-20)22(2,3)4)21(25)24(19-7-8-19)15-17-11-13-23-14-12-17/h5-6,9-14,16,19H,7-8,15H2,1-4H3
InChIKeyXARILZSYDWBMGT-UHFFFAOYSA-N
XLogP4.34
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenoxy)-N-[(4-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 3348141
N-cyclopropyl-2-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 51096504
2-chloro-N-cyclopropyl-2-fluoro-N-(pyridin-4-ylmethyl)acetamide
CID 167754693
(2R)-2-(4-tert-butylphenoxy)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 27309413
2-(4-tert-butylphenoxy)-N,N-diethylpropanamide
CID 19204171
2-(4-tert-butylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119441988
N-cyclopropyl-2-(4-phenylphenoxy)-N-(pyridin-2-ylmethyl)propanamide
CID 55607567
N-(1,1-dioxothiolan-3-yl)-2-(4-fluorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 18818033
(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
CID 93368626
N-cyclopropyl-2-(propan-2-ylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 54869747
(2R)-2-(4-tert-butylphenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
CID 124536454
1-cyclopropyl-3-methyl-1-(pyridin-4-ylmethyl)urea
CID 71943890

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-cyclopropyl-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-cyclopropyl-N-(pyridin-4-ylmethyl)propanamide (CID 55602806) is 2-(4-tert-butylphenoxy)-N-cyclopropyl-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-cyclopropyl-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-cyclopropyl-N-(pyridin-4-ylmethyl)propanamide is CC(Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccncc1)C1CC1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-cyclopropyl-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is XARILZSYDWBMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16(26-20-9-5-18(6-10-20)22(2,3)4)21(25)24(19-7-8-19)15-17-11-13-23-14-12-17/h5-6,9-14,16,19H,7-8,15H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenoxy)-N-cyclopropyl-N-(pyridin-4-ylmethyl)propanamide?
2-(4-tert-butylphenoxy)-N-cyclopropyl-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 352.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-cyclopropyl-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 55602806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).