3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide

C12H25N3O2 — CID 114167246

IUPAC3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide
SMILESCC(C)(CNC(=O)CC(N)C(C)(C)C)C(N)=O
InChIInChI=1S/C12H25N3O2/c1-11(2,3)8(13)6-9(16)15-7-12(4,5)10(14)17/h8H,6-7,13H2,1-5H3,(H2,14,17)(H,15,16)
InChIKeyRUZZAJLYKGNHCB-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.38
Rot. Bonds5

About 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide

3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide (PubChem CID 114167246) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide
PubChem CID114167246
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide
SMILESCC(C)(CNC(=O)CC(N)C(C)(C)C)C(N)=O
InChIInChI=1S/C12H25N3O2/c1-11(2,3)8(13)6-9(16)15-7-12(4,5)10(14)17/h8H,6-7,13H2,1-5H3,(H2,14,17)(H,15,16)
InChIKeyRUZZAJLYKGNHCB-UHFFFAOYSA-N
XLogP0.38
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3,3-dimethylbutanamide;hydrochloride
CID 119736012
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,4-dimethylpentanamide
CID 106176749
5-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-3-methyl-5-oxopentanoic acid
CID 106275549
3-(3-cyclopropylbutanoylamino)-2,2-dimethylpropanamide
CID 56820054
2,2-dimethyl-3-[[2-(methylamino)acetyl]amino]propanamide
CID 103809519
3-(3-aminopropanoylamino)-2,2-dimethylpropanamide
CID 103795627
(2S)-2-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methylbutanamide;hydrochloride
CID 119296292
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-oxopentanamide
CID 106277105
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-2,2,3-trimethylbutanamide
CID 114167258
N-(3-amino-2,2-dimethyl-3-oxopropyl)hexanamide
CID 141198616
2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-oxoacetic acid
CID 104767621
3-[[2-(1-hydroxycyclohexyl)acetyl]amino]-2,2-dimethylpropanamide
CID 111331912

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide?
The IUPAC name of 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide (CID 114167246) is 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide?
The canonical SMILES for 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide is CC(C)(CNC(=O)CC(N)C(C)(C)C)C(N)=O.
What is the InChIKey of 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide?
The InChIKey is RUZZAJLYKGNHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-11(2,3)8(13)6-9(16)15-7-12(4,5)10(14)17/h8H,6-7,13H2,1-5H3,(H2,14,17)(H,15,16).
What are the key properties of 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide?
3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide has a molecular weight of 243.35 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-amino-2,2-dimethyl-3-oxopropyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 114167246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).