N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide

C14H19BrN2O3 — CID 108943352

IUPACN'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide
SMILESCOCCCNC(=O)CC(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C14H19BrN2O3/c1-10-4-5-11(8-12(10)15)17-14(19)9-13(18)16-6-3-7-20-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeySYMOROMCUGQIBV-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.24
Rot. Bonds7

About N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide

N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide (PubChem CID 108943352) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide.

Molecular Properties

Compound NameN'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide
PubChem CID108943352
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC NameN'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide
SMILESCOCCCNC(=O)CC(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C14H19BrN2O3/c1-10-4-5-11(8-12(10)15)17-14(19)9-13(18)16-6-3-7-20-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeySYMOROMCUGQIBV-UHFFFAOYSA-N
XLogP2.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methoxypropyl)propanediamide
CID 108943393
N'-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943345
N'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide
CID 108984242
2-[acetyl(3-methoxypropyl)amino]-N-(3-bromo-4-methylphenyl)acetamide
CID 113160116
N'-(4-ethoxyphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943357
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
N'-(3,5-dimethylphenyl)-N-(2-methoxyethyl)propanediamide
CID 108943141
3-amino-N-(3-bromo-4-methylphenyl)-3-sulfanylidenepropanamide
CID 63334451
N-(3-bromo-4-methylphenyl)-3-ethoxypropanamide
CID 55219341
ethyl N-[2-(3-bromo-4-methylanilino)-2-oxoethyl]carbamate
CID 112998523
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide?
The IUPAC name of N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide (CID 108943352) is N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide.
What is the SMILES notation for N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide?
The canonical SMILES for N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide is COCCCNC(=O)CC(=O)Nc1ccc(C)c(Br)c1.
What is the InChIKey of N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide?
The InChIKey is SYMOROMCUGQIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-10-4-5-11(8-12(10)15)17-14(19)9-13(18)16-6-3-7-20-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide?
N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide has a molecular weight of 343.22 g/mol, XLogP of 2.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide is sourced from PubChem (CID 108943352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).