N-(3-amino-3-oxopropyl)-3,3-dimethyl-2-propan-2-ylbutanamide

C12H24N2O2 — CID 76698140

IUPACN-(3-amino-3-oxopropyl)-3,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)NCCC(N)=O)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)10(12(3,4)5)11(16)14-7-6-9(13)15/h8,10H,6-7H2,1-5H3,(H2,13,15)(H,14,16)
InChIKeyJCECVANAKMABJI-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.30
Rot. Bonds5

About N-(3-amino-3-oxopropyl)-3,3-dimethyl-2-propan-2-ylbutanamide

N-(3-amino-3-oxopropyl)-3,3-dimethyl-2-propan-2-ylbutanamide (PubChem CID 76698140) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-3,3-dimethyl-2-propan-2-ylbutanamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-3,3-dimethyl-2-propan-2-ylbutanamide
PubChem CID76698140
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(3-amino-3-oxopropyl)-3,3-dimethyl-2-propan-2-ylbutanamide
SMILESCC(C)C(C(=O)NCCC(N)=O)C(C)(C)C
InChIInChI=1S/C12H24N2O2/c1-8(2)10(12(3,4)5)11(16)14-7-6-9(13)15/h8,10H,6-7H2,1-5H3,(H2,13,15)(H,14,16)
InChIKeyJCECVANAKMABJI-UHFFFAOYSA-N
XLogP1.30
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-amino-3-oxopropyl)-3,3-dimethyl-2-propan-2-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-3,3-dimethyl-2-propan-2-ylbutanamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-3,3-dimethyl-2-propan-2-ylbutanamide (CID 76698140) is N-(3-amino-3-oxopropyl)-3,3-dimethyl-2-propan-2-ylbutanamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-3,3-dimethyl-2-propan-2-ylbutanamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-3,3-dimethyl-2-propan-2-ylbutanamide is CC(C)C(C(=O)NCCC(N)=O)C(C)(C)C.
What is the InChIKey of N-(3-amino-3-oxopropyl)-3,3-dimethyl-2-propan-2-ylbutanamide?
The InChIKey is JCECVANAKMABJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8(2)10(12(3,4)5)11(16)14-7-6-9(13)15/h8,10H,6-7H2,1-5H3,(H2,13,15)(H,14,16).
What are the key properties of N-(3-amino-3-oxopropyl)-3,3-dimethyl-2-propan-2-ylbutanamide?
N-(3-amino-3-oxopropyl)-3,3-dimethyl-2-propan-2-ylbutanamide has a molecular weight of 228.34 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-3,3-dimethyl-2-propan-2-ylbutanamide is sourced from PubChem (CID 76698140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).