3-bromo-4-(2-methylpropoxy)-N,N-bis(prop-2-enyl)benzamide

C17H22BrNO2 — CID 17351650

IUPAC3-bromo-4-(2-methylpropoxy)-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(OCC(C)C)c(Br)c1
InChIInChI=1S/C17H22BrNO2/c1-5-9-19(10-6-2)17(20)14-7-8-16(15(18)11-14)21-12-13(3)4/h5-8,11,13H,1-2,9-10,12H2,3-4H3
InChIKeyUJTHHNQAWBZWSZ-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.30
Rot. Bonds8

About 3-bromo-4-(2-methylpropoxy)-N,N-bis(prop-2-enyl)benzamide

3-bromo-4-(2-methylpropoxy)-N,N-bis(prop-2-enyl)benzamide (PubChem CID 17351650) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is 3-bromo-4-(2-methylpropoxy)-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name3-bromo-4-(2-methylpropoxy)-N,N-bis(prop-2-enyl)benzamide
PubChem CID17351650
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC Name3-bromo-4-(2-methylpropoxy)-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccc(OCC(C)C)c(Br)c1
InChIInChI=1S/C17H22BrNO2/c1-5-9-19(10-6-2)17(20)14-7-8-16(15(18)11-14)21-12-13(3)4/h5-8,11,13H,1-2,9-10,12H2,3-4H3
InChIKeyUJTHHNQAWBZWSZ-UHFFFAOYSA-N
XLogP4.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-methoxy-4-(2-methylpropoxy)-N-prop-2-enylbenzamide
CID 112819847
3-methoxy-4-propan-2-yloxy-N,N-bis(prop-2-enyl)benzamide
CID 78784416
3-bromo-N-[2-(N-[3-bromo-4-(2-methylpropoxy)benzoyl]anilino)ethyl]-4-(2-methylpropoxy)-N-phenylbenzamide
CID 17352584
3-bromo-N-ethyl-4-(2-methylpropoxy)benzamide
CID 17351708
3-bromo-N-methyl-4-(2-methylpropoxy)benzamide
CID 17351710
3-bromo-N-[2-(2-methylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17074334
3-bromo-N-(3,5-dimethylphenyl)-4-(2-methylpropoxy)benzamide
CID 17351586
3-bromo-4-(2-methylpropoxy)-N-[2-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 17351678
3-bromo-N-[3-(dipropylcarbamoyl)phenyl]-4-(2-methylpropoxy)benzamide
CID 26162487
3-bromo-N-[4-(2-methylpropoxy)phenyl]-4-prop-2-enoxybenzamide
CID 17067240
(4-bromophenyl) 3-bromo-4-(2-methylpropoxy)benzoate
CID 23012747
4-(3-methylbutoxy)-N,N-bis(prop-2-enyl)benzamide
CID 78784427

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(2-methylpropoxy)-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 3-bromo-4-(2-methylpropoxy)-N,N-bis(prop-2-enyl)benzamide (CID 17351650) is 3-bromo-4-(2-methylpropoxy)-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 3-bromo-4-(2-methylpropoxy)-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 3-bromo-4-(2-methylpropoxy)-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1ccc(OCC(C)C)c(Br)c1.
What is the InChIKey of 3-bromo-4-(2-methylpropoxy)-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is UJTHHNQAWBZWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c1-5-9-19(10-6-2)17(20)14-7-8-16(15(18)11-14)21-12-13(3)4/h5-8,11,13H,1-2,9-10,12H2,3-4H3.
What are the key properties of 3-bromo-4-(2-methylpropoxy)-N,N-bis(prop-2-enyl)benzamide?
3-bromo-4-(2-methylpropoxy)-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 352.27 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(2-methylpropoxy)-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 17351650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).