N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide

C13H27N3O2 — CID 54869110

IUPACN-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CCNC(C)C
InChIInChI=1S/C13H27N3O2/c1-6-16(9-12(17)15-11(4)5)13(18)7-8-14-10(2)3/h10-11,14H,6-9H2,1-5H3,(H,15,17)
InChIKeyBEIRNFXSNLGEDT-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.75
Rot. Bonds8

About N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide

N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide (PubChem CID 54869110) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide
PubChem CID54869110
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide
SMILESCCN(CC(=O)NC(C)C)C(=O)CCNC(C)C
InChIInChI=1S/C13H27N3O2/c1-6-16(9-12(17)15-11(4)5)13(18)7-8-14-10(2)3/h10-11,14H,6-9H2,1-5H3,(H,15,17)
InChIKeyBEIRNFXSNLGEDT-UHFFFAOYSA-N
XLogP0.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]heptanamide
CID 54869086
2-[carbamoyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60703127
ethyl N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
CID 60652174
3-[4-(dimethylamino)phenyl]-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 24555346
N-[2-(dimethylamino)-2-oxoethyl]-3-(propan-2-ylamino)-N-propylpropanamide
CID 54916358
2-[ethyl-[2-[2-hydroxyethyl(propan-2-yl)amino]acetyl]amino]-N-propan-2-ylacetamide
CID 60696906
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 78788550
3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113416182
2-[ethyl-[2-[(2-hydroxy-2-methylpropyl)-methylamino]acetyl]amino]-N-propan-2-ylacetamide
CID 79038170
2-(azetidin-3-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 64610759
N-benzyl-N-ethyl-3-(propan-2-ylamino)propanamide
CID 60854868
N-ethyl-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850058

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide?
The IUPAC name of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide (CID 54869110) is N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide?
The canonical SMILES for N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide is CCN(CC(=O)NC(C)C)C(=O)CCNC(C)C.
What is the InChIKey of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide?
The InChIKey is BEIRNFXSNLGEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-6-16(9-12(17)15-11(4)5)13(18)7-8-14-10(2)3/h10-11,14H,6-9H2,1-5H3,(H,15,17).
What are the key properties of N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide?
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide has a molecular weight of 257.38 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propan-2-ylamino)propanamide is sourced from PubChem (CID 54869110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).