2-bromo-N-ethyl-N-(3-hydroxypropyl)-2-methylpropanamide

C9H18BrNO2 — CID 114329142

IUPAC2-bromo-N-ethyl-N-(3-hydroxypropyl)-2-methylpropanamide
SMILESCCN(CCCO)C(=O)C(C)(C)Br
InChIInChI=1S/C9H18BrNO2/c1-4-11(6-5-7-12)8(13)9(2,3)10/h12H,4-7H2,1-3H3
InChIKeyIPQGZWQPHQUXNS-UHFFFAOYSA-N
MW252.15 g/mol
LogP1.39
Rot. Bonds5

About 2-bromo-N-ethyl-N-(3-hydroxypropyl)-2-methylpropanamide

2-bromo-N-ethyl-N-(3-hydroxypropyl)-2-methylpropanamide (PubChem CID 114329142) has the molecular formula C9H18BrNO2 and a molecular weight of 252.15 g/mol. Its IUPAC name is 2-bromo-N-ethyl-N-(3-hydroxypropyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-N-(3-hydroxypropyl)-2-methylpropanamide
PubChem CID114329142
Molecular FormulaC9H18BrNO2
Molecular Weight252.15 g/mol
Exact Mass251.05
IUPAC Name2-bromo-N-ethyl-N-(3-hydroxypropyl)-2-methylpropanamide
SMILESCCN(CCCO)C(=O)C(C)(C)Br
InChIInChI=1S/C9H18BrNO2/c1-4-11(6-5-7-12)8(13)9(2,3)10/h12H,4-7H2,1-3H3
InChIKeyIPQGZWQPHQUXNS-UHFFFAOYSA-N
XLogP1.39
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 51.39
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

2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide
CID 114329005
N-ethyl-2-(ethylamino)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 62835692
2-bromo-N-ethyl-2-methyl-N-(2-methylbutyl)propanamide
CID 114328887
(2R)-2-amino-N-ethyl-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
CID 104861744
N-ethyl-N-(3-hydroxypropyl)-3,4,4-trimethylpentanamide
CID 115771733
N-[2-[ethyl(3-hydroxypropyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 115771423
2-(aminomethyl)-N-ethyl-N-(3-hydroxypropyl)-4,4-dimethylpentanamide
CID 107472719
tert-butyl N-ethyl-N-(4-hydroxybutyl)carbamate
CID 87693866
2-bromo-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-methylpropanamide
CID 114329141
2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772103
N-ethyl-2,6-dihydroxy-N-(3-hydroxypropyl)benzamide
CID 107689617
N-ethyl-N-(3-hydroxypropyl)cyclopent-3-ene-1-carboxamide
CID 115771738

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-N-(3-hydroxypropyl)-2-methylpropanamide?
The IUPAC name of 2-bromo-N-ethyl-N-(3-hydroxypropyl)-2-methylpropanamide (CID 114329142) is 2-bromo-N-ethyl-N-(3-hydroxypropyl)-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-ethyl-N-(3-hydroxypropyl)-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-ethyl-N-(3-hydroxypropyl)-2-methylpropanamide is CCN(CCCO)C(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-ethyl-N-(3-hydroxypropyl)-2-methylpropanamide?
The InChIKey is IPQGZWQPHQUXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO2/c1-4-11(6-5-7-12)8(13)9(2,3)10/h12H,4-7H2,1-3H3.
What are the key properties of 2-bromo-N-ethyl-N-(3-hydroxypropyl)-2-methylpropanamide?
2-bromo-N-ethyl-N-(3-hydroxypropyl)-2-methylpropanamide has a molecular weight of 252.15 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-N-(3-hydroxypropyl)-2-methylpropanamide is sourced from PubChem (CID 114329142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).