2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

C20H27N3O — CID 109001538

IUPAC2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)CNc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H27N3O/c1-20(2,3)17-5-7-18(8-6-17)22-15-19(24)23(4)14-11-16-9-12-21-13-10-16/h5-10,12-13,22H,11,14-15H2,1-4H3
InChIKeyYAWBWXSOPVAISE-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.49
Rot. Bonds6

About 2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide

2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 109001538) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID109001538
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
SMILESCN(CCc1ccncc1)C(=O)CNc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H27N3O/c1-20(2,3)17-5-7-18(8-6-17)22-15-19(24)23(4)14-11-16-9-12-21-13-10-16/h5-10,12-13,22H,11,14-15H2,1-4H3
InChIKeyYAWBWXSOPVAISE-UHFFFAOYSA-N
XLogP3.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 60913880
2,2-dimethyl-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]propanamide
CID 112993675
2-(1,3-benzodioxol-5-ylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001593
2-(3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 109001550
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78942343
N-methyl-N-(2-pyridin-4-ylethyl)-2-(2,3,4-trifluoroanilino)acetamide
CID 109001618
N-methyl-2-(2-methylpropylamino)-N-(2-pyridin-4-ylethyl)acetamide
CID 108993197
2-amino-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]acetamide
CID 54944012
3-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 54943632
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
2-(benzylamino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 108996378
4-fluoro-N-[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]benzamide
CID 112993682

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide (CID 109001538) is 2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is CN(CCc1ccncc1)C(=O)CNc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is YAWBWXSOPVAISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-20(2,3)17-5-7-18(8-6-17)22-15-19(24)23(4)14-11-16-9-12-21-13-10-16/h5-10,12-13,22H,11,14-15H2,1-4H3.
What are the key properties of 2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide?
2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 325.46 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 109001538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).