N-(2-bromoprop-2-enyl)-N-[(2,4-dimethoxyphenyl)methyl]hex-5-enamide

C18H24BrNO3 — CID 143222329

IUPACN-(2-bromoprop-2-enyl)-N-[(2,4-dimethoxyphenyl)methyl]hex-5-enamide
SMILESC=CCCCC(=O)N(CC(=C)Br)Cc1ccc(OC)cc1OC
InChIInChI=1S/C18H24BrNO3/c1-5-6-7-8-18(21)20(12-14(2)19)13-15-9-10-16(22-3)11-17(15)23-4/h5,9-11H,1-2,6-8,12-13H2,3-4H3
InChIKeyYPFPFOVRMDLPFB-UHFFFAOYSA-N
MW382.30 g/mol
LogP4.30
Rot. Bonds10

About N-(2-bromoprop-2-enyl)-N-[(2,4-dimethoxyphenyl)methyl]hex-5-enamide

N-(2-bromoprop-2-enyl)-N-[(2,4-dimethoxyphenyl)methyl]hex-5-enamide (PubChem CID 143222329) has the molecular formula C18H24BrNO3 and a molecular weight of 382.30 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-N-[(2,4-dimethoxyphenyl)methyl]hex-5-enamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-N-[(2,4-dimethoxyphenyl)methyl]hex-5-enamide
PubChem CID143222329
Molecular FormulaC18H24BrNO3
Molecular Weight382.30 g/mol
Exact Mass381.09
IUPAC NameN-(2-bromoprop-2-enyl)-N-[(2,4-dimethoxyphenyl)methyl]hex-5-enamide
SMILESC=CCCCC(=O)N(CC(=C)Br)Cc1ccc(OC)cc1OC
InChIInChI=1S/C18H24BrNO3/c1-5-6-7-8-18(21)20(12-14(2)19)13-15-9-10-16(22-3)11-17(15)23-4/h5,9-11H,1-2,6-8,12-13H2,3-4H3
InChIKeyYPFPFOVRMDLPFB-UHFFFAOYSA-N
XLogP4.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-N-prop-2-enylbut-3-enamide
CID 24796878
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 119682698
methyl 5-[(2,4-dimethoxyphenyl)methyl-[4-(prop-2-enoxycarbonylamino)butyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 135383578
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 94687468
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
2,4-dimethoxy-1-(non-8-enoxymethyl)benzene
CID 155664425
5-[(2,4-dimethoxyphenyl)methyl-methylamino]pentan-2-one
CID 115236585
2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
(2,4-dimethoxyphenyl)methyl-methylcarbamic acid
CID 115170960
[1-[(2,4-dimethoxyphenyl)methyl-(2-phenylprop-2-enyl)amino]-1-oxopent-4-en-2-yl]carbamic acid
CID 22293266
2,4-dimethoxy-1-prop-2-enylbenzene;pentan-3-one
CID 175249444
2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid
CID 39364528

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-N-[(2,4-dimethoxyphenyl)methyl]hex-5-enamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-N-[(2,4-dimethoxyphenyl)methyl]hex-5-enamide (CID 143222329) is N-(2-bromoprop-2-enyl)-N-[(2,4-dimethoxyphenyl)methyl]hex-5-enamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-N-[(2,4-dimethoxyphenyl)methyl]hex-5-enamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-N-[(2,4-dimethoxyphenyl)methyl]hex-5-enamide is C=CCCCC(=O)N(CC(=C)Br)Cc1ccc(OC)cc1OC.
What is the InChIKey of N-(2-bromoprop-2-enyl)-N-[(2,4-dimethoxyphenyl)methyl]hex-5-enamide?
The InChIKey is YPFPFOVRMDLPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrNO3/c1-5-6-7-8-18(21)20(12-14(2)19)13-15-9-10-16(22-3)11-17(15)23-4/h5,9-11H,1-2,6-8,12-13H2,3-4H3.
What are the key properties of N-(2-bromoprop-2-enyl)-N-[(2,4-dimethoxyphenyl)methyl]hex-5-enamide?
N-(2-bromoprop-2-enyl)-N-[(2,4-dimethoxyphenyl)methyl]hex-5-enamide has a molecular weight of 382.30 g/mol, XLogP of 4.30, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-N-[(2,4-dimethoxyphenyl)methyl]hex-5-enamide is sourced from PubChem (CID 143222329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).