3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide

C12H25N3O2 — CID 106915366

IUPAC3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
SMILESCNC(=O)C(C)CN(C)C(=O)CC(N)C(C)C
InChIInChI=1S/C12H25N3O2/c1-8(2)10(13)6-11(16)15(5)7-9(3)12(17)14-4/h8-10H,6-7,13H2,1-5H3,(H,14,17)
InChIKeyOPCXEDBWCYYATP-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.20
Rot. Bonds6

About 3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide

3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide (PubChem CID 106915366) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide.

Molecular Properties

Compound Name3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
PubChem CID106915366
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
SMILESCNC(=O)C(C)CN(C)C(=O)CC(N)C(C)C
InChIInChI=1S/C12H25N3O2/c1-8(2)10(13)6-11(16)15(5)7-9(3)12(17)14-4/h8-10H,6-7,13H2,1-5H3,(H,14,17)
InChIKeyOPCXEDBWCYYATP-UHFFFAOYSA-N
XLogP0.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-3-[methyl-[2-(methylamino)acetyl]amino]propanamide
CID 103812841
(3S)-3-(aminomethyl)-N,5-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]hexanamide
CID 106915323
7-amino-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]heptanamide
CID 103812823
4-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide
CID 103812844
3-[[2-(tert-butylamino)acetyl]-methylamino]-N,2-dimethylpropanamide
CID 103722241
N,2-dimethyl-3-[methyl-[2-methyl-2-(methylamino)propanoyl]amino]propanamide
CID 106915340
(2S)-2-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide;hydrochloride
CID 119818699
3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]-methylamino]-N,2-dimethylpropanamide
CID 106915392
N,2-dimethyl-3-[methyl(prop-2-enoyl)amino]propanamide
CID 106915065
3-amino-N,2,2-trimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]propanamide
CID 103812840
3-amino-N,2-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]-3-phenylpropanamide
CID 103812839
tert-butyl 4-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106812542

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide?
The IUPAC name of 3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide (CID 106915366) is 3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide.
What is the SMILES notation for 3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide?
The canonical SMILES for 3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide is CNC(=O)C(C)CN(C)C(=O)CC(N)C(C)C.
What is the InChIKey of 3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide?
The InChIKey is OPCXEDBWCYYATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-8(2)10(13)6-11(16)15(5)7-9(3)12(17)14-4/h8-10H,6-7,13H2,1-5H3,(H,14,17).
What are the key properties of 3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide?
3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide has a molecular weight of 243.35 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pentanamide is sourced from PubChem (CID 106915366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).