N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide

C10H21N3O2 — CID 76893602

IUPACN-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
SMILESCC(=O)NCCNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C10H21N3O2/c1-7(14)12-5-6-13-9(15)8(11)10(2,3)4/h8H,5-6,11H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyAKIQRIWQMZFMKK-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.39
Rot. Bonds4

About N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide

N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide (PubChem CID 76893602) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
PubChem CID76893602
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
SMILESCC(=O)NCCNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C10H21N3O2/c1-7(14)12-5-6-13-9(15)8(11)10(2,3)4/h8H,5-6,11H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyAKIQRIWQMZFMKK-UHFFFAOYSA-N
XLogP-0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-3,3-dimethylbutanamide
CID 112555904
(2R)-2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 103929631
2-amino-3,3-dimethyl-N-(3,3,3-trifluoropropyl)butanamide
CID 76988357
2-amino-N-(4-aminobutyl)-3,3-dimethylbutanamide
CID 76897344
2-amino-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 76892696
(2R)-2-amino-3,3-dimethyl-N-(4-methylpentyl)butanamide
CID 103929431
(2S)-2-amino-N-[2-(dimethylsulfamoyl)ethyl]-3,3-dimethylbutanamide
CID 114175289
(2S)-2-amino-N-(2,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 64598491
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylprop-2-enoxy)ethyl]butanamide
CID 104929441
2-amino-N-(3-hydroxypentyl)-3,3-dimethylbutanamide
CID 115751041
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide?
The IUPAC name of N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide (CID 76893602) is N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide is CC(=O)NCCNC(=O)C(N)C(C)(C)C.
What is the InChIKey of N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide?
The InChIKey is AKIQRIWQMZFMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-7(14)12-5-6-13-9(15)8(11)10(2,3)4/h8H,5-6,11H2,1-4H3,(H,12,14)(H,13,15).
What are the key properties of N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide?
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide has a molecular weight of 215.30 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide is sourced from PubChem (CID 76893602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).