N-(3-bromophenyl)-3-methyl-N-propylbut-2-enamide

C14H18BrNO — CID 19760221

IUPACN-(3-bromophenyl)-3-methyl-N-propylbut-2-enamide
SMILESCCCN(C(=O)C=C(C)C)c1cccc(Br)c1
InChIInChI=1S/C14H18BrNO/c1-4-8-16(14(17)9-11(2)3)13-7-5-6-12(15)10-13/h5-7,9-10H,4,8H2,1-3H3
InChIKeyVZDCBUHNEBFGQJ-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.16
Rot. Bonds4

About N-(3-bromophenyl)-3-methyl-N-propylbut-2-enamide

N-(3-bromophenyl)-3-methyl-N-propylbut-2-enamide (PubChem CID 19760221) has the molecular formula C14H18BrNO and a molecular weight of 296.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-methyl-N-propylbut-2-enamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-methyl-N-propylbut-2-enamide
PubChem CID19760221
Molecular FormulaC14H18BrNO
Molecular Weight296.21 g/mol
Exact Mass295.06
IUPAC NameN-(3-bromophenyl)-3-methyl-N-propylbut-2-enamide
SMILESCCCN(C(=O)C=C(C)C)c1cccc(Br)c1
InChIInChI=1S/C14H18BrNO/c1-4-8-16(14(17)9-11(2)3)13-7-5-6-12(15)10-13/h5-7,9-10H,4,8H2,1-3H3
InChIKeyVZDCBUHNEBFGQJ-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.16
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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Related Compounds

N-(3-bromophenyl)-N-propylacetamide
CID 67272874
(2S)-2-(3-bromo-N-propylanilino)butanoic acid
CID 100519030
N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113062819
N-(3-bromophenyl)-N-butyl-3,3-dimethylbutanamide
CID 18735896
3-bromo-N-ethyl-N-propylaniline
CID 58544975
4-(3-bromo-N-propylanilino)butanoic acid
CID 100519019
N-(3-chlorophenyl)-N-propylacetamide
CID 174491562
N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide
CID 107971045
2-[1-(3-bromo-N-ethylanilino)propylidene]propanedioic acid
CID 67028652
N-(3-bromophenyl)-N-hydroxyacetamide
CID 3015973
N-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide
CID 63229866
3-bromo-N-butyl-N-phenylbenzamide
CID 17256559

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-methyl-N-propylbut-2-enamide?
The IUPAC name of N-(3-bromophenyl)-3-methyl-N-propylbut-2-enamide (CID 19760221) is N-(3-bromophenyl)-3-methyl-N-propylbut-2-enamide.
What is the SMILES notation for N-(3-bromophenyl)-3-methyl-N-propylbut-2-enamide?
The canonical SMILES for N-(3-bromophenyl)-3-methyl-N-propylbut-2-enamide is CCCN(C(=O)C=C(C)C)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-methyl-N-propylbut-2-enamide?
The InChIKey is VZDCBUHNEBFGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO/c1-4-8-16(14(17)9-11(2)3)13-7-5-6-12(15)10-13/h5-7,9-10H,4,8H2,1-3H3.
What are the key properties of N-(3-bromophenyl)-3-methyl-N-propylbut-2-enamide?
N-(3-bromophenyl)-3-methyl-N-propylbut-2-enamide has a molecular weight of 296.21 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-methyl-N-propylbut-2-enamide is sourced from PubChem (CID 19760221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).