3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide

C18H27BrN2O2 — CID 113128684

IUPAC3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN(C(C)=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C18H27BrN2O2/c1-5-10-20(11-6-2)18(23)9-12-21(15(4)22)16-8-7-14(3)17(19)13-16/h7-8,13H,5-6,9-12H2,1-4H3
InChIKeyNAIIKSJLQKSCTJ-UHFFFAOYSA-N
MW383.33 g/mol
LogP4.15
Rot. Bonds8

About 3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide

3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide (PubChem CID 113128684) has the molecular formula C18H27BrN2O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide
PubChem CID113128684
Molecular FormulaC18H27BrN2O2
Molecular Weight383.33 g/mol
Exact Mass382.13
IUPAC Name3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide
SMILESCCCN(CCC)C(=O)CCN(C(C)=O)c1ccc(C)c(Br)c1
InChIInChI=1S/C18H27BrN2O2/c1-5-10-20(11-6-2)18(23)9-12-21(15(4)22)16-8-7-14(3)17(19)13-16/h7-8,13H,5-6,9-12H2,1-4H3
InChIKeyNAIIKSJLQKSCTJ-UHFFFAOYSA-N
XLogP4.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(N-acetyl-3-bromo-4-methylanilino)-N,N-diethylpropanamide
CID 113128676
3-(N-acetyl-3-bromo-4-methylanilino)-N-butylpropanamide
CID 113128654
3-(N-acetyl-3,4-dimethoxyanilino)-N,N-dipropylpropanamide
CID 113130237
3-(N-acetyl-2-methylanilino)-N,N-dipropylpropanamide
CID 113123613
2-(N-acetyl-3-bromo-4-methylanilino)-N-propylacetamide
CID 113173025
2-(N-acetyl-3-bromo-4-methylanilino)-N-butylacetamide
CID 113173029
N-(3-bromo-4-methylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113128682
3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide
CID 113124355
2-(N-acetyl-3-methylanilino)-N,N-dipropylacetamide
CID 113167538
N-(3-bromo-4-methylphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113060416
2-(N-acetyl-3-bromo-4-methylanilino)-N-prop-2-enylacetamide
CID 113173028
2-(N-acetyl-4-chloroanilino)-N,N-dipropylacetamide
CID 113171553

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide?
The IUPAC name of 3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide (CID 113128684) is 3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide.
What is the SMILES notation for 3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide?
The canonical SMILES for 3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide is CCCN(CCC)C(=O)CCN(C(C)=O)c1ccc(C)c(Br)c1.
What is the InChIKey of 3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide?
The InChIKey is NAIIKSJLQKSCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O2/c1-5-10-20(11-6-2)18(23)9-12-21(15(4)22)16-8-7-14(3)17(19)13-16/h7-8,13H,5-6,9-12H2,1-4H3.
What are the key properties of 3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide?
3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide has a molecular weight of 383.33 g/mol, XLogP of 4.15, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-bromo-4-methylanilino)-N,N-dipropylpropanamide is sourced from PubChem (CID 113128684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).