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

C12H25N3O2 — CID 64685595

IUPAC3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
SMILESCCN(CC)C(=O)C(C)NC(=O)CC(C)(C)N
InChIInChI=1S/C12H25N3O2/c1-6-15(7-2)11(17)9(3)14-10(16)8-12(4,5)13/h9H,6-8,13H2,1-5H3,(H,14,16)
InChIKeyHFUXEQIDKMNMIP-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.49
Rot. Bonds6

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

3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methylbutanamide (PubChem CID 64685595) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
PubChem CID64685595
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
SMILESCCN(CC)C(=O)C(C)NC(=O)CC(C)(C)N
InChIInChI=1S/C12H25N3O2/c1-6-15(7-2)11(17)9(3)14-10(16)8-12(4,5)13/h9H,6-8,13H2,1-5H3,(H,14,16)
InChIKeyHFUXEQIDKMNMIP-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]propanamide
CID 112604570
6-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-4,4-dimethylhexanamide
CID 65290645
2-amino-2-cyclopropyl-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide
CID 60867535
2-(3-chloropropanoylamino)-N,N-diethylpropanamide
CID 43696191
2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylpropanamide
CID 61219994
3-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methylbutanamide
CID 106096229
5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 62964214
methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate
CID 115590943
3-amino-N-hexan-2-yl-3-methylbutanamide
CID 64677229
1-[2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60941748
3-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methylbutanamide
CID 79250532
N,N-diethyl-2-(2-methoxypropanoylamino)propanamide
CID 115588502

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methylbutanamide?
The IUPAC name of 3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methylbutanamide (CID 64685595) is 3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methylbutanamide?
The canonical SMILES for 3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methylbutanamide is CCN(CC)C(=O)C(C)NC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methylbutanamide?
The InChIKey is HFUXEQIDKMNMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-6-15(7-2)11(17)9(3)14-10(16)8-12(4,5)13/h9H,6-8,13H2,1-5H3,(H,14,16).
What are the key properties of 3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methylbutanamide?
3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methylbutanamide has a molecular weight of 243.35 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 64685595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).