3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide

C12H25N3O2 — CID 106096229

IUPAC3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide
SMILESCCN(CC)C(=O)C(C)NC(C)(C)CC(N)=O
InChIInChI=1S/C12H25N3O2/c1-6-15(7-2)11(17)9(3)14-12(4,5)8-10(13)16/h9,14H,6-8H2,1-5H3,(H2,13,16)
InChIKeyARBOACGQVLNMPC-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.49
Rot. Bonds7

About 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide

3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide (PubChem CID 106096229) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide
PubChem CID106096229
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide
SMILESCCN(CC)C(=O)C(C)NC(C)(C)CC(N)=O
InChIInChI=1S/C12H25N3O2/c1-6-15(7-2)11(17)9(3)14-12(4,5)8-10(13)16/h9,14H,6-8H2,1-5H3,(H2,13,16)
InChIKeyARBOACGQVLNMPC-UHFFFAOYSA-N
XLogP0.49
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylpropanamide
CID 61219994
3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 64685595
2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylbutanoic acid
CID 79789393
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2,2,3-trimethylbutanoic acid
CID 65265678
N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide
CID 114010536
3-[[1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide
CID 106096315
2-amino-2-cyclopropyl-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide
CID 60867535
N,N-diethyl-2-[[2-(hydroxymethyl)-2-methylbutyl]amino]propanamide
CID 81413077
2-(1-aminopropan-2-ylamino)-N,N-diethylpropanamide
CID 103388840
methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]butanoate
CID 106096264
2-amino-3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]propanamide
CID 103262824
2-(carbamoylamino)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 60958324

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide?
The IUPAC name of 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide (CID 106096229) is 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide.
What is the SMILES notation for 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide?
The canonical SMILES for 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide is CCN(CC)C(=O)C(C)NC(C)(C)CC(N)=O.
What is the InChIKey of 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide?
The InChIKey is ARBOACGQVLNMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-6-15(7-2)11(17)9(3)14-12(4,5)8-10(13)16/h9,14H,6-8H2,1-5H3,(H2,13,16).
What are the key properties of 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide?
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide has a molecular weight of 243.35 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide is sourced from PubChem (CID 106096229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).