3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide

C12H25N3O2 — CID 113416182

IUPAC3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
SMILESCCN(CC(=O)NC(C)C)C(=O)C(C)C(C)N
InChIInChI=1S/C12H25N3O2/c1-6-15(7-11(16)14-8(2)3)12(17)9(4)10(5)13/h8-10H,6-7,13H2,1-5H3,(H,14,16)
InChIKeyQAXLSXPYACBCOM-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.34
Rot. Bonds6

About 3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide

3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide (PubChem CID 113416182) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
PubChem CID113416182
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
SMILESCCN(CC(=O)NC(C)C)C(=O)C(C)C(C)N
InChIInChI=1S/C12H25N3O2/c1-6-15(7-11(16)14-8(2)3)12(17)9(4)10(5)13/h8-10H,6-7,13H2,1-5H3,(H,14,16)
InChIKeyQAXLSXPYACBCOM-UHFFFAOYSA-N
XLogP0.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 79012433
(2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 93367275
2-[carbamoyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60703127
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-2-methylbutanamide
CID 103102016
ethyl N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
CID 60652174
2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide
CID 60937764
2-(3-aminocyclohexyl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 106592776
(2R)-2-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]-3-methylbutanoic acid
CID 79010051
2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopentane-1-carboxamide
CID 64824749
2-(3-aminoazetidin-1-yl)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 65249916
N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-[(2-phenylacetyl)amino]butanamide
CID 51156967
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-phenylbutanamide
CID 78789416

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide?
The IUPAC name of 3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide (CID 113416182) is 3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide?
The canonical SMILES for 3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide is CCN(CC(=O)NC(C)C)C(=O)C(C)C(C)N.
What is the InChIKey of 3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide?
The InChIKey is QAXLSXPYACBCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-6-15(7-11(16)14-8(2)3)12(17)9(4)10(5)13/h8-10H,6-7,13H2,1-5H3,(H,14,16).
What are the key properties of 3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide?
3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide has a molecular weight of 243.35 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-2-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide is sourced from PubChem (CID 113416182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).