2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide

C9H16BrNO — CID 114329005

IUPAC2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCN(CC)C(=O)C(C)(C)Br
InChIInChI=1S/C9H16BrNO/c1-5-7-11(6-2)8(12)9(3,4)10/h5H,1,6-7H2,2-4H3
InChIKeyFEDRADKGVBHQAW-UHFFFAOYSA-N
MW234.14 g/mol
LogP2.19
Rot. Bonds4

About 2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide

2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide (PubChem CID 114329005) has the molecular formula C9H16BrNO and a molecular weight of 234.14 g/mol. Its IUPAC name is 2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide
PubChem CID114329005
Molecular FormulaC9H16BrNO
Molecular Weight234.14 g/mol
Exact Mass233.04
IUPAC Name2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCN(CC)C(=O)C(C)(C)Br
InChIInChI=1S/C9H16BrNO/c1-5-7-11(6-2)8(12)9(3,4)10/h5H,1,6-7H2,2-4H3
InChIKeyFEDRADKGVBHQAW-UHFFFAOYSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[ethyl(prop-2-enyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82821512
3-tert-butyl-1-ethyl-1-prop-2-enylurea
CID 115695087
2-bromo-N-ethyl-N-(3-hydroxypropyl)-2-methylpropanamide
CID 114329142
1-ethyl-3-methyl-1-prop-2-enylurea
CID 115597941
2-ethoxy-2-methyl-N,N-bis(prop-2-enyl)propanamide
CID 146490139
2,2-dichloro-N-ethyl-N-prop-2-enylacetamide
CID 21403921
2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide
CID 736559
2-[2-[bis(prop-2-enyl)amino]-2-oxoethoxy]-N-ethyl-N-prop-2-enylacetamide
CID 166930748
ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate
CID 87228347
2,2,2-trifluoroethyl N-ethyl-N-prop-2-enylcarbamate
CID 78983348
2-amino-N-ethyl-4-methyl-N-prop-2-enylpentanamide
CID 81489014
2-(aminomethyl)-2-ethyl-N,N-bis(prop-2-enyl)butanamide
CID 115431597

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide?
The IUPAC name of 2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide (CID 114329005) is 2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide?
The canonical SMILES for 2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide is C=CCN(CC)C(=O)C(C)(C)Br.
What is the InChIKey of 2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide?
The InChIKey is FEDRADKGVBHQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO/c1-5-7-11(6-2)8(12)9(3,4)10/h5H,1,6-7H2,2-4H3.
What are the key properties of 2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide?
2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide has a molecular weight of 234.14 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-ethyl-2-methyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 114329005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).