3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoylamino]-N,N-diethylpropanamide

C17H25BrN4O3 — CID 55910513

IUPAC3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(=O)NCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C17H25BrN4O3/c1-4-22(5-2)16(24)8-9-19-17(25)20-11-15(23)21-14-7-6-13(18)10-12(14)3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,21,23)(H2,19,20,25)
InChIKeyPPAGCKUGPVKQLK-UHFFFAOYSA-N
MW413.32 g/mol
LogP2.25
Rot. Bonds8

About 3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoylamino]-N,N-diethylpropanamide

3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoylamino]-N,N-diethylpropanamide (PubChem CID 55910513) has the molecular formula C17H25BrN4O3 and a molecular weight of 413.32 g/mol. Its IUPAC name is 3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoylamino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoylamino]-N,N-diethylpropanamide
PubChem CID55910513
Molecular FormulaC17H25BrN4O3
Molecular Weight413.32 g/mol
Exact Mass412.11
IUPAC Name3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoylamino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCNC(=O)NCC(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C17H25BrN4O3/c1-4-22(5-2)16(24)8-9-19-17(25)20-11-15(23)21-14-7-6-13(18)10-12(14)3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,21,23)(H2,19,20,25)
InChIKeyPPAGCKUGPVKQLK-UHFFFAOYSA-N
XLogP2.25
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoylamino]-N,N-diethylpropanamide 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

N-(4-bromo-2-methylphenyl)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]acetamide
CID 55485275
N-(4-bromo-2-methylphenyl)-2-[3-(4-methoxyphenyl)propylcarbamoylamino]acetamide
CID 55912206
3-[(4-bromo-2-methylphenyl)carbamoylamino]propanoic acid
CID 61181043
3-acetamido-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methylpropanamide
CID 16583098
N-[3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 27781556
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 27781463
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2,4,6-trimethylbenzamide
CID 112761213
N-(4-bromo-2-methylphenyl)octanamide
CID 4582485
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-methylsulfanylpropanamide
CID 18160466
3-bromo-N-(4-bromo-2-methylphenyl)propanamide
CID 115571608
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-4-(2-ethoxyphenoxy)butanamide
CID 26071027
4-amino-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119269095

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoylamino]-N,N-diethylpropanamide?
The IUPAC name of 3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoylamino]-N,N-diethylpropanamide (CID 55910513) is 3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoylamino]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoylamino]-N,N-diethylpropanamide?
The canonical SMILES for 3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoylamino]-N,N-diethylpropanamide is CCN(CC)C(=O)CCNC(=O)NCC(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of 3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoylamino]-N,N-diethylpropanamide?
The InChIKey is PPAGCKUGPVKQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN4O3/c1-4-22(5-2)16(24)8-9-19-17(25)20-11-15(23)21-14-7-6-13(18)10-12(14)3/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,21,23)(H2,19,20,25).
What are the key properties of 3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoylamino]-N,N-diethylpropanamide?
3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoylamino]-N,N-diethylpropanamide has a molecular weight of 413.32 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]carbamoylamino]-N,N-diethylpropanamide is sourced from PubChem (CID 55910513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).