2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-phenylbutyl)propanamide

C20H33N3O2 — CID 84832187

IUPAC2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-phenylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)N(C)CC(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C20H33N3O2/c1-7-11-17(16-12-9-8-10-13-16)21-19(25)15(2)23(6)14-18(24)22-20(3,4)5/h8-10,12-13,15,17H,7,11,14H2,1-6H3,(H,21,25)(H,22,24)
InChIKeyXUHFSVHECSBRMK-UHFFFAOYSA-N
MW347.50 g/mol
LogP2.88
Rot. Bonds8

About 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-phenylbutyl)propanamide

2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-phenylbutyl)propanamide (PubChem CID 84832187) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-phenylbutyl)propanamide.

Molecular Properties

Compound Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-phenylbutyl)propanamide
PubChem CID84832187
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC Name2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-phenylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)N(C)CC(=O)NC(C)(C)C)c1ccccc1
InChIInChI=1S/C20H33N3O2/c1-7-11-17(16-12-9-8-10-13-16)21-19(25)15(2)23(6)14-18(24)22-20(3,4)5/h8-10,12-13,15,17H,7,11,14H2,1-6H3,(H,21,25)(H,22,24)
InChIKeyXUHFSVHECSBRMK-UHFFFAOYSA-N
XLogP2.88
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[(1S)-1-phenylbutyl]propanamide
CID 8914313
2-[ethyl(methyl)amino]-N-(1-phenylbutyl)propanamide
CID 60516767
(2S)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348098
2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-N-(1-phenylbutyl)propanamide
CID 60516440
(2S)-2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348881
(2S)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1S)-1-phenylbutyl]propanamide
CID 8556646
(2R)-2-chloro-N-[(1S)-1-phenylbutyl]propanamide
CID 2466708
N-tert-butyl-3-(1-phenylbutylamino)propanamide
CID 115605323
N-tert-butyl-2-[methyl-[2-[methyl(1-phenylethyl)amino]acetyl]amino]acetamide
CID 51226996
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8767355
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1,2-diphenylethyl]acetamide
CID 8768418
(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-naphthalen-2-ylpropanamide
CID 8767426

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-phenylbutyl)propanamide?
The IUPAC name of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-phenylbutyl)propanamide (CID 84832187) is 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-phenylbutyl)propanamide.
What is the SMILES notation for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-phenylbutyl)propanamide?
The canonical SMILES for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-phenylbutyl)propanamide is CCCC(NC(=O)C(C)N(C)CC(=O)NC(C)(C)C)c1ccccc1.
What is the InChIKey of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-phenylbutyl)propanamide?
The InChIKey is XUHFSVHECSBRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-7-11-17(16-12-9-8-10-13-16)21-19(25)15(2)23(6)14-18(24)22-20(3,4)5/h8-10,12-13,15,17H,7,11,14H2,1-6H3,(H,21,25)(H,22,24).
What are the key properties of 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-phenylbutyl)propanamide?
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-phenylbutyl)propanamide has a molecular weight of 347.50 g/mol, XLogP of 2.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(1-phenylbutyl)propanamide is sourced from PubChem (CID 84832187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).