2-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]butanamide

C11H21BrN2O2 — CID 62856660

IUPAC2-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]butanamide
SMILESCCC(Br)C(=O)NC(C)C(=O)N(CC)CC
InChIInChI=1S/C11H21BrN2O2/c1-5-9(12)10(15)13-8(4)11(16)14(6-2)7-3/h8-9H,5-7H2,1-4H3,(H,13,15)
InChIKeyPXANIGXHFKLODS-UHFFFAOYSA-N
MW293.21 g/mol
LogP1.53
Rot. Bonds6

About 2-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]butanamide

2-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]butanamide (PubChem CID 62856660) has the molecular formula C11H21BrN2O2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 2-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]butanamide
PubChem CID62856660
Molecular FormulaC11H21BrN2O2
Molecular Weight293.21 g/mol
Exact Mass292.08
IUPAC Name2-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]butanamide
SMILESCCC(Br)C(=O)NC(C)C(=O)N(CC)CC
InChIInChI=1S/C11H21BrN2O2/c1-5-9(12)10(15)13-8(4)11(16)14(6-2)7-3/h8-9H,5-7H2,1-4H3,(H,13,15)
InChIKeyPXANIGXHFKLODS-UHFFFAOYSA-N
XLogP1.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-(2-methoxypropanoylamino)propanamide
CID 115588502
2-cyano-N-[1-(diethylamino)-1-oxopropan-2-yl]propanamide
CID 112696041
methyl N-[1-(diethylamino)-1-oxopropan-2-yl]carbamate
CID 115590943
2-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoylamino]butanoic acid
CID 113408715
(2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 61153941
2-(3-chloropropanoylamino)-N,N-diethylpropanamide
CID 43696191
2-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-2-methylpropanamide
CID 61219994
5-[[1-(diethylamino)-1-oxopropan-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 62964214
2,3-dibromo-N,N-diethylpropanamide
CID 86249575
N,N-diethyl-2-(methoxyamino)propanamide
CID 60721258
3-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 64685595
N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide
CID 114010536

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]butanamide?
The IUPAC name of 2-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]butanamide (CID 62856660) is 2-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]butanamide.
What is the SMILES notation for 2-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]butanamide?
The canonical SMILES for 2-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]butanamide is CCC(Br)C(=O)NC(C)C(=O)N(CC)CC.
What is the InChIKey of 2-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]butanamide?
The InChIKey is PXANIGXHFKLODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN2O2/c1-5-9(12)10(15)13-8(4)11(16)14(6-2)7-3/h8-9H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 2-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]butanamide?
2-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]butanamide has a molecular weight of 293.21 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(diethylamino)-1-oxopropan-2-yl]butanamide is sourced from PubChem (CID 62856660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).