N-[1-(4-bromophenyl)ethyl]-N-(2,4-dimethylpent-4-enyl)propanamide

C18H26BrNO — CID 91109484

IUPACN-[1-(4-bromophenyl)ethyl]-N-(2,4-dimethylpent-4-enyl)propanamide
SMILESC=C(C)CC(C)CN(C(=O)CC)C(C)c1ccc(Br)cc1
InChIInChI=1S/C18H26BrNO/c1-6-18(21)20(12-14(4)11-13(2)3)15(5)16-7-9-17(19)10-8-16/h7-10,14-15H,2,6,11-12H2,1,3-5H3
InChIKeyUOYCUURGFBRMPP-UHFFFAOYSA-N
MW352.32 g/mol
LogP5.35
Rot. Bonds7

About N-[1-(4-bromophenyl)ethyl]-N-(2,4-dimethylpent-4-enyl)propanamide

N-[1-(4-bromophenyl)ethyl]-N-(2,4-dimethylpent-4-enyl)propanamide (PubChem CID 91109484) has the molecular formula C18H26BrNO and a molecular weight of 352.32 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-N-(2,4-dimethylpent-4-enyl)propanamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-N-(2,4-dimethylpent-4-enyl)propanamide
PubChem CID91109484
Molecular FormulaC18H26BrNO
Molecular Weight352.32 g/mol
Exact Mass351.12
IUPAC NameN-[1-(4-bromophenyl)ethyl]-N-(2,4-dimethylpent-4-enyl)propanamide
SMILESC=C(C)CC(C)CN(C(=O)CC)C(C)c1ccc(Br)cc1
InChIInChI=1S/C18H26BrNO/c1-6-18(21)20(12-14(4)11-13(2)3)15(5)16-7-9-17(19)10-8-16/h7-10,14-15H,2,6,11-12H2,1,3-5H3
InChIKeyUOYCUURGFBRMPP-UHFFFAOYSA-N
XLogP5.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.32
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1-(4-bromophenyl)ethyl]-[(3S)-5-methyl-3-phenylhex-5-enyl]carbamic acid
CID 89131350
N-[1-(4-bromophenyl)ethyl]-N-methylbutanamide
CID 166191857
2-[1-(4-bromophenyl)ethyl-butan-2-ylamino]acetic acid
CID 65057440
2-[1-(4-bromophenyl)ethyl-propylamino]acetic acid
CID 65064536
N-(3-methylbut-2-enyl)-N-[(1S)-1-phenylethyl]propanamide
CID 135041080
ethyl (3S)-3-(4-bromophenyl)butanoate
CID 90210718
3-[1-phenylethyl(propanoyl)amino]propanoic acid
CID 82323265
ethyl 2-[(4-bromophenyl)-fluoromethyl]prop-2-enoate
CID 165388443
2-(4-bromophenyl)-4-methylhexanoic acid
CID 79440321
2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide
CID 43425684
ethyl 4-(4-bromophenyl)-4-hydroxy-2-methylidenebutanoate
CID 11958195
1-bromo-4-(1-chloro-3-methylpentyl)benzene
CID 114875996

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-N-(2,4-dimethylpent-4-enyl)propanamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-N-(2,4-dimethylpent-4-enyl)propanamide (CID 91109484) is N-[1-(4-bromophenyl)ethyl]-N-(2,4-dimethylpent-4-enyl)propanamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-N-(2,4-dimethylpent-4-enyl)propanamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-N-(2,4-dimethylpent-4-enyl)propanamide is C=C(C)CC(C)CN(C(=O)CC)C(C)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-N-(2,4-dimethylpent-4-enyl)propanamide?
The InChIKey is UOYCUURGFBRMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrNO/c1-6-18(21)20(12-14(4)11-13(2)3)15(5)16-7-9-17(19)10-8-16/h7-10,14-15H,2,6,11-12H2,1,3-5H3.
What are the key properties of N-[1-(4-bromophenyl)ethyl]-N-(2,4-dimethylpent-4-enyl)propanamide?
N-[1-(4-bromophenyl)ethyl]-N-(2,4-dimethylpent-4-enyl)propanamide has a molecular weight of 352.32 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-N-(2,4-dimethylpent-4-enyl)propanamide is sourced from PubChem (CID 91109484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).