N-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide

C14H19BrN2O — CID 113227520

IUPACN-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide
SMILESC=C(Br)CNC(=O)CCc1ccc(N(C)C)cc1
InChIInChI=1S/C14H19BrN2O/c1-11(15)10-16-14(18)9-6-12-4-7-13(8-5-12)17(2)3/h4-5,7-8H,1,6,9-10H2,2-3H3,(H,16,18)
InChIKeyXAMZSRJMUPRQQA-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.71
Rot. Bonds6

About N-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide

N-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide (PubChem CID 113227520) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide
PubChem CID113227520
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide
SMILESC=C(Br)CNC(=O)CCc1ccc(N(C)C)cc1
InChIInChI=1S/C14H19BrN2O/c1-11(15)10-16-14(18)9-6-12-4-7-13(8-5-12)17(2)3/h4-5,7-8H,1,6,9-10H2,2-3H3,(H,16,18)
InChIKeyXAMZSRJMUPRQQA-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 60717379
3-[3-[4-(dimethylamino)phenyl]propanoylamino]propanoic acid
CID 43354679
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-phenylpropanamide
CID 16889411
3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585
N-(2-bromoprop-2-enyl)-3-(3-chloro-4-methylphenyl)propanamide
CID 113227506
3-[4-(dimethylamino)phenyl]-N-propan-2-ylpropanamide
CID 60667878
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 16889384
N-(3,3-difluoro-2-hydroxypropyl)-3-[4-(dimethylamino)phenyl]propanamide
CID 103770356
3-[4-(dimethylamino)phenyl]-N-(3-methoxypropyl)propanamide
CID 110464572
3-[4-(dimethylamino)phenyl]-N-(3-formamidopropyl)propanamide
CID 110464584
N'-[3-[4-(dimethylamino)phenyl]propanoyl]-4-hydroxybutanehydrazide
CID 166378581
3-[4-(dimethylamino)phenyl]-N-[(2R)-1-hydroxypropan-2-yl]propanamide
CID 79027322

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide?
The IUPAC name of N-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide (CID 113227520) is N-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide?
The canonical SMILES for N-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide is C=C(Br)CNC(=O)CCc1ccc(N(C)C)cc1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide?
The InChIKey is XAMZSRJMUPRQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-11(15)10-16-14(18)9-6-12-4-7-13(8-5-12)17(2)3/h4-5,7-8H,1,6,9-10H2,2-3H3,(H,16,18).
What are the key properties of N-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide?
N-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide has a molecular weight of 311.22 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-3-[4-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 113227520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).