2-amino-N,3-dimethyl-N-[2-oxo-2-(1-oxopropan-2-ylamino)ethyl]butanamide

C11H21N3O3 — CID 123597331

IUPAC2-amino-N,3-dimethyl-N-[2-oxo-2-(1-oxopropan-2-ylamino)ethyl]butanamide
SMILESCC(C=O)NC(=O)CN(C)C(=O)C(N)C(C)C
InChIInChI=1S/C11H21N3O3/c1-7(2)10(12)11(17)14(4)5-9(16)13-8(3)6-15/h6-8,10H,5,12H2,1-4H3,(H,13,16)
InChIKeyGQGHEFGBOVSLHB-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.87
Rot. Bonds6

About 2-amino-N,3-dimethyl-N-[2-oxo-2-(1-oxopropan-2-ylamino)ethyl]butanamide

2-amino-N,3-dimethyl-N-[2-oxo-2-(1-oxopropan-2-ylamino)ethyl]butanamide (PubChem CID 123597331) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-amino-N,3-dimethyl-N-[2-oxo-2-(1-oxopropan-2-ylamino)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-N,3-dimethyl-N-[2-oxo-2-(1-oxopropan-2-ylamino)ethyl]butanamide
PubChem CID123597331
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name2-amino-N,3-dimethyl-N-[2-oxo-2-(1-oxopropan-2-ylamino)ethyl]butanamide
SMILESCC(C=O)NC(=O)CN(C)C(=O)C(N)C(C)C
InChIInChI=1S/C11H21N3O3/c1-7(2)10(12)11(17)14(4)5-9(16)13-8(3)6-15/h6-8,10H,5,12H2,1-4H3,(H,13,16)
InChIKeyGQGHEFGBOVSLHB-UHFFFAOYSA-N
XLogP-0.87
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-amino-N,3-dimethyl-N-(2-oxopropyl)butanamide;ethane
CID 143701294
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 61164170
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270119
2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 60937489
(2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113353361
(2S)-2-amino-N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119265149
2-amino-N,3-dimethyl-N-(2-methylpropyl)butanamide
CID 43272154
2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen
CID 145302166
(2R)-2-amino-N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 79012433
(2S)-2-amino-N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61165022
2-amino-N-methyl-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 43375282
2-amino-N-[(E)-3-methoxybut-2-enyl]-N,3-dimethylbutanamide
CID 142876722

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3-dimethyl-N-[2-oxo-2-(1-oxopropan-2-ylamino)ethyl]butanamide?
The IUPAC name of 2-amino-N,3-dimethyl-N-[2-oxo-2-(1-oxopropan-2-ylamino)ethyl]butanamide (CID 123597331) is 2-amino-N,3-dimethyl-N-[2-oxo-2-(1-oxopropan-2-ylamino)ethyl]butanamide.
What is the SMILES notation for 2-amino-N,3-dimethyl-N-[2-oxo-2-(1-oxopropan-2-ylamino)ethyl]butanamide?
The canonical SMILES for 2-amino-N,3-dimethyl-N-[2-oxo-2-(1-oxopropan-2-ylamino)ethyl]butanamide is CC(C=O)NC(=O)CN(C)C(=O)C(N)C(C)C.
What is the InChIKey of 2-amino-N,3-dimethyl-N-[2-oxo-2-(1-oxopropan-2-ylamino)ethyl]butanamide?
The InChIKey is GQGHEFGBOVSLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-7(2)10(12)11(17)14(4)5-9(16)13-8(3)6-15/h6-8,10H,5,12H2,1-4H3,(H,13,16).
What are the key properties of 2-amino-N,3-dimethyl-N-[2-oxo-2-(1-oxopropan-2-ylamino)ethyl]butanamide?
2-amino-N,3-dimethyl-N-[2-oxo-2-(1-oxopropan-2-ylamino)ethyl]butanamide has a molecular weight of 243.31 g/mol, XLogP of -0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3-dimethyl-N-[2-oxo-2-(1-oxopropan-2-ylamino)ethyl]butanamide is sourced from PubChem (CID 123597331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).