(Z)-3-(3-bromophenyl)-2-methyl-N,N-di(propan-2-yl)prop-2-enamide

C16H22BrNO — CID 102288400

IUPAC(Z)-3-(3-bromophenyl)-2-methyl-N,N-di(propan-2-yl)prop-2-enamide
SMILESC/C(=C/c1cccc(Br)c1)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H22BrNO/c1-11(2)18(12(3)4)16(19)13(5)9-14-7-6-8-15(17)10-14/h6-12H,1-5H3/b13-9-
InChIKeyRIZCCWCVVSORSL-LCYFTJDESA-N
MW324.26 g/mol
LogP4.50
Rot. Bonds4

About (Z)-3-(3-bromophenyl)-2-methyl-N,N-di(propan-2-yl)prop-2-enamide

(Z)-3-(3-bromophenyl)-2-methyl-N,N-di(propan-2-yl)prop-2-enamide (PubChem CID 102288400) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is (Z)-3-(3-bromophenyl)-2-methyl-N,N-di(propan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-bromophenyl)-2-methyl-N,N-di(propan-2-yl)prop-2-enamide
PubChem CID102288400
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC Name(Z)-3-(3-bromophenyl)-2-methyl-N,N-di(propan-2-yl)prop-2-enamide
SMILESC/C(=C/c1cccc(Br)c1)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H22BrNO/c1-11(2)18(12(3)4)16(19)13(5)9-14-7-6-8-15(17)10-14/h6-12H,1-5H3/b13-9-
InChIKeyRIZCCWCVVSORSL-LCYFTJDESA-N
XLogP4.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-bromophenyl)-2-methyl-N,N-di(propan-2-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(3-bromophenyl)-2-methyl-N,N-di(propan-2-yl)prop-2-enamide (CID 102288400) is (Z)-3-(3-bromophenyl)-2-methyl-N,N-di(propan-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-bromophenyl)-2-methyl-N,N-di(propan-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3-bromophenyl)-2-methyl-N,N-di(propan-2-yl)prop-2-enamide is C/C(=C/c1cccc(Br)c1)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of (Z)-3-(3-bromophenyl)-2-methyl-N,N-di(propan-2-yl)prop-2-enamide?
The InChIKey is RIZCCWCVVSORSL-LCYFTJDESA-N. The full InChI is InChI=1S/C16H22BrNO/c1-11(2)18(12(3)4)16(19)13(5)9-14-7-6-8-15(17)10-14/h6-12H,1-5H3/b13-9-.
What are the key properties of (Z)-3-(3-bromophenyl)-2-methyl-N,N-di(propan-2-yl)prop-2-enamide?
(Z)-3-(3-bromophenyl)-2-methyl-N,N-di(propan-2-yl)prop-2-enamide has a molecular weight of 324.26 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-bromophenyl)-2-methyl-N,N-di(propan-2-yl)prop-2-enamide is sourced from PubChem (CID 102288400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).