2-(dimethylamino)-N-[3-[formyl(methyl)amino]-2,3-dimethylbutan-2-yl]propanamide

C13H27N3O2 — CID 170071630

IUPAC2-(dimethylamino)-N-[3-[formyl(methyl)amino]-2,3-dimethylbutan-2-yl]propanamide
SMILESCC(C(=O)NC(C)(C)C(C)(C)N(C)C=O)N(C)C
InChIInChI=1S/C13H27N3O2/c1-10(15(6)7)11(18)14-12(2,3)13(4,5)16(8)9-17/h9-10H,1-8H3,(H,14,18)
InChIKeyRRLJLQNPZNRFAZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.70
Rot. Bonds6

About 2-(dimethylamino)-N-[3-[formyl(methyl)amino]-2,3-dimethylbutan-2-yl]propanamide

2-(dimethylamino)-N-[3-[formyl(methyl)amino]-2,3-dimethylbutan-2-yl]propanamide (PubChem CID 170071630) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-[formyl(methyl)amino]-2,3-dimethylbutan-2-yl]propanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-[formyl(methyl)amino]-2,3-dimethylbutan-2-yl]propanamide
PubChem CID170071630
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-(dimethylamino)-N-[3-[formyl(methyl)amino]-2,3-dimethylbutan-2-yl]propanamide
SMILESCC(C(=O)NC(C)(C)C(C)(C)N(C)C=O)N(C)C
InChIInChI=1S/C13H27N3O2/c1-10(15(6)7)11(18)14-12(2,3)13(4,5)16(8)9-17/h9-10H,1-8H3,(H,14,18)
InChIKeyRRLJLQNPZNRFAZ-UHFFFAOYSA-N
XLogP0.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-N-(2-oxoethyl)propanamide
CID 21254696
3-[2-(dimethylamino)propanoylamino]propanoic acid
CID 126638716
2-(dimethylamino)-N-(hydroxymethyl)propanamide
CID 13328120
(2S)-N-cyclopropyl-2-(dimethylamino)propanamide
CID 127013720
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid
CID 63645143
(2S)-N-[2-(1-deuterio-2-methyl-1-oxopropan-2-yl)cyclohexyl]-2-(dimethylamino)propanamide
CID 129012998
3-(ethylamino)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 106188154
2-[2-aminoethyl(methyl)amino]-N-tert-butylpropanamide
CID 61348533
N-(1,1-dimethoxyethyl)-N-methylformamide
CID 88676160
methyl (2R)-2-(dimethylamino)propanoate
CID 30030726
N-tert-butyl-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide
CID 79122141
2-(dimethylamino)-N-octadecylpropanamide
CID 161206779

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-[formyl(methyl)amino]-2,3-dimethylbutan-2-yl]propanamide?
The IUPAC name of 2-(dimethylamino)-N-[3-[formyl(methyl)amino]-2,3-dimethylbutan-2-yl]propanamide (CID 170071630) is 2-(dimethylamino)-N-[3-[formyl(methyl)amino]-2,3-dimethylbutan-2-yl]propanamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-[formyl(methyl)amino]-2,3-dimethylbutan-2-yl]propanamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-[formyl(methyl)amino]-2,3-dimethylbutan-2-yl]propanamide is CC(C(=O)NC(C)(C)C(C)(C)N(C)C=O)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-[3-[formyl(methyl)amino]-2,3-dimethylbutan-2-yl]propanamide?
The InChIKey is RRLJLQNPZNRFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-10(15(6)7)11(18)14-12(2,3)13(4,5)16(8)9-17/h9-10H,1-8H3,(H,14,18).
What are the key properties of 2-(dimethylamino)-N-[3-[formyl(methyl)amino]-2,3-dimethylbutan-2-yl]propanamide?
2-(dimethylamino)-N-[3-[formyl(methyl)amino]-2,3-dimethylbutan-2-yl]propanamide has a molecular weight of 257.38 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-[formyl(methyl)amino]-2,3-dimethylbutan-2-yl]propanamide is sourced from PubChem (CID 170071630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).