N'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide

C13H18BrN3O2 — CID 108943931

IUPACN'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
SMILESCN(C)CCNC(=O)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H18BrN3O2/c1-17(2)7-6-15-12(18)9-13(19)16-11-5-3-4-10(14)8-11/h3-5,8H,6-7,9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyRYAOJAGXYTYFLS-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.46
Rot. Bonds6

About N'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide

N'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide (PubChem CID 108943931) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is N'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide.

Molecular Properties

Compound NameN'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
PubChem CID108943931
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC NameN'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
SMILESCN(C)CCNC(=O)CC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H18BrN3O2/c1-17(2)7-6-15-12(18)9-13(19)16-11-5-3-4-10(14)8-11/h3-5,8H,6-7,9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyRYAOJAGXYTYFLS-UHFFFAOYSA-N
XLogP1.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943910
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(3-bromophenyl)acetamide
CID 113160547
N-(3-bromophenyl)-N'-(3-chloro-4-methylphenyl)propanediamide
CID 108955273
N'-(3-chloro-4-fluorophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943891
N-(3-bromophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
CID 62976482
1-(3-bromophenyl)-3-[3-(dimethylamino)propyl]thiourea
CID 92524449
N-(3-bromophenyl)-4-methyl-3-oxopentanamide
CID 134357858
N'-(2-bromo-4-methylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943932
N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
CID 109253002
1-N-(3-bromophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
CID 109134103
N-[2-(3-bromoanilino)-2-oxoethyl]propanamide
CID 113000509

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide?
The IUPAC name of N'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide (CID 108943931) is N'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide.
What is the SMILES notation for N'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide?
The canonical SMILES for N'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide is CN(C)CCNC(=O)CC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide?
The InChIKey is RYAOJAGXYTYFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-17(2)7-6-15-12(18)9-13(19)16-11-5-3-4-10(14)8-11/h3-5,8H,6-7,9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide?
N'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide has a molecular weight of 328.21 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide is sourced from PubChem (CID 108943931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).