2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide

C10H21N3O2 — CID 103914269

IUPAC2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide
SMILESCC(C)C(NCCC(=O)N(C)C)C(N)=O
InChIInChI=1S/C10H21N3O2/c1-7(2)9(10(11)15)12-6-5-8(14)13(3)4/h7,9,12H,5-6H2,1-4H3,(H2,11,15)
InChIKeyVKRVMIYTLSTDNM-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.44
Rot. Bonds6

About 2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide

2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide (PubChem CID 103914269) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide
PubChem CID103914269
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC Name2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide
SMILESCC(C)C(NCCC(=O)N(C)C)C(N)=O
InChIInChI=1S/C10H21N3O2/c1-7(2)9(10(11)15)12-6-5-8(14)13(3)4/h7,9,12H,5-6H2,1-4H3,(H2,11,15)
InChIKeyVKRVMIYTLSTDNM-UHFFFAOYSA-N
XLogP-0.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

N,N-dimethyl-3-(3-methylpentan-2-ylamino)propanamide
CID 60925489
2-(3-hydroxypropylamino)-3-methylbutanamide
CID 103914237
(2S)-2-[[3-(dimethylamino)-3-oxopropyl]amino]propanoic acid
CID 83195023
3-methyl-2-(pentylamino)butanamide
CID 103914102
(2S)-2-(3-aminopropylamino)-3-methylbutanamide;hydrochloride
CID 171647987
(2S)-3-methyl-2-(tetradecylamino)butanamide
CID 54544525
2-[(2-amino-2-oxoethyl)amino]-3-methylbutanamide
CID 103914024
3-methyl-2-[2-(4-methylpiperazin-1-yl)ethylamino]butanamide
CID 106344756
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60854503
N,N-dimethyl-3-(6-methylheptan-2-ylamino)propanamide
CID 60765757
N,N-dimethyl-3-(4,4,4-trifluorobutan-2-ylamino)propanamide
CID 115715320
3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide
CID 107441879

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide?
The IUPAC name of 2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide (CID 103914269) is 2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide.
What is the SMILES notation for 2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide?
The canonical SMILES for 2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide is CC(C)C(NCCC(=O)N(C)C)C(N)=O.
What is the InChIKey of 2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide?
The InChIKey is VKRVMIYTLSTDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-7(2)9(10(11)15)12-6-5-8(14)13(3)4/h7,9,12H,5-6H2,1-4H3,(H2,11,15).
What are the key properties of 2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide?
2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide has a molecular weight of 215.30 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide is sourced from PubChem (CID 103914269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).