2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide

C10H19BrN2O2 — CID 82110412

IUPAC2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide
SMILESCCN(CC)C(=O)CCNC(=O)C(C)Br
InChIInChI=1S/C10H19BrN2O2/c1-4-13(5-2)9(14)6-7-12-10(15)8(3)11/h8H,4-7H2,1-3H3,(H,12,15)
InChIKeyYUABOCPECSOWOC-UHFFFAOYSA-N
MW279.18 g/mol
LogP1.14
Rot. Bonds6

About 2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide

2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide (PubChem CID 82110412) has the molecular formula C10H19BrN2O2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide
PubChem CID82110412
Molecular FormulaC10H19BrN2O2
Molecular Weight279.18 g/mol
Exact Mass278.06
IUPAC Name2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide
SMILESCCN(CC)C(=O)CCNC(=O)C(C)Br
InChIInChI=1S/C10H19BrN2O2/c1-4-13(5-2)9(14)6-7-12-10(15)8(3)11/h8H,4-7H2,1-3H3,(H,12,15)
InChIKeyYUABOCPECSOWOC-UHFFFAOYSA-N
XLogP1.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 51.14
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

3-chloro-N-[3-(diethylamino)-3-oxopropyl]-2-methylpropanamide
CID 62728135
2-(aminomethyl)-N-[3-(diethylamino)-3-oxopropyl]butanamide
CID 65229755
3-acetamido-N,N-diethylpropanamide;ethane
CID 143532923
N,N-diethyl-3-(methylcarbamoylamino)propanamide
CID 115588408
2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide
CID 113225823
2-[[3-(diethylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 113363370
N-(2-acetamidoethyl)-2-bromopropanamide
CID 82110777
(2S)-2-[[3-(diethylamino)-3-oxopropyl]carbamoylamino]-3,3-dimethylbutanoic acid
CID 103996460
N,N-diethyl-3-(1-methoxypropan-2-ylamino)propanamide
CID 62537003
N,N-diethyl-3-(hexan-2-ylamino)propanamide
CID 60926870
3-bromo-N-[3-(diethylamino)-3-oxopropyl]benzamide
CID 47267566
3-[[2-[2-(aminomethyl)phenyl]acetyl]amino]-N,N-diethylpropanamide
CID 81311740

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide?
The IUPAC name of 2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide (CID 82110412) is 2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide.
What is the SMILES notation for 2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide?
The canonical SMILES for 2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide is CCN(CC)C(=O)CCNC(=O)C(C)Br.
What is the InChIKey of 2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide?
The InChIKey is YUABOCPECSOWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O2/c1-4-13(5-2)9(14)6-7-12-10(15)8(3)11/h8H,4-7H2,1-3H3,(H,12,15).
What are the key properties of 2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide?
2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide has a molecular weight of 279.18 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(diethylamino)-3-oxopropyl]propanamide is sourced from PubChem (CID 82110412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).