N-(5-bromo-2-methylphenyl)-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide

C15H22BrN5O2 — CID 119132968

IUPACN-(5-bromo-2-methylphenyl)-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide
SMILESC/N=C(/NCC(=O)Nc1cc(Br)ccc1C)NCC(=O)N(C)C
InChIInChI=1S/C15H22BrN5O2/c1-10-5-6-11(16)7-12(10)20-13(22)8-18-15(17-2)19-9-14(23)21(3)4/h5-7H,8-9H2,1-4H3,(H,20,22)(H2,17,18,19)
InChIKeyUSEOHXKZXUHPKB-UHFFFAOYSA-N
MW384.28 g/mol
LogP0.95
Rot. Bonds5

About N-(5-bromo-2-methylphenyl)-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide

N-(5-bromo-2-methylphenyl)-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide (PubChem CID 119132968) has the molecular formula C15H22BrN5O2 and a molecular weight of 384.28 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide
PubChem CID119132968
Molecular FormulaC15H22BrN5O2
Molecular Weight384.28 g/mol
Exact Mass383.10
IUPAC NameN-(5-bromo-2-methylphenyl)-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide
SMILESC/N=C(/NCC(=O)Nc1cc(Br)ccc1C)NCC(=O)N(C)C
InChIInChI=1S/C15H22BrN5O2/c1-10-5-6-11(16)7-12(10)20-13(22)8-18-15(17-2)19-9-14(23)21(3)4/h5-7H,8-9H2,1-4H3,(H,20,22)(H2,17,18,19)
InChIKeyUSEOHXKZXUHPKB-UHFFFAOYSA-N
XLogP0.95
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(5-bromo-2-methylphenyl)-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide 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-(5-bromo-2-methylphenyl)-2-[[N-(3-ethoxypropyl)-N'-methylcarbamimidoyl]amino]acetamide
CID 111222961
N-(5-bromo-2-methylphenyl)-2-[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111890870
N-(5-bromo-2-methylphenyl)-2-[(N-butan-2-yl-N'-methylcarbamimidoyl)amino]acetamide;hydroiodide
CID 110944547
N-(5-bromo-2-methylphenyl)-2-[[N-[(2,5-difluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111902116
2-(5-bromo-2-methylanilino)-N,N-dimethylacetamide
CID 43806025
N-(5-bromo-2-methylphenyl)-2-[[N-(3-hydroxy-2-phenylpropyl)-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 109409265
N-(5-bromo-2-methylphenyl)-2-[[N-[3-(cyclopropylmethoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111390886
N-(5-bromo-2-methylphenyl)-2-[[N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111563266
N-(5-bromo-2-methylphenyl)-2-[[N'-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)carbamimidoyl]amino]acetamide
CID 111314184
2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 119132949
N-(4-bromo-2-methylphenyl)-3-[[N-[2-(tert-butylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111385894
N-(5-bromo-2-methylphenyl)-2-[[N-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111700190

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide (CID 119132968) is N-(5-bromo-2-methylphenyl)-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide is C/N=C(/NCC(=O)Nc1cc(Br)ccc1C)NCC(=O)N(C)C.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide?
The InChIKey is USEOHXKZXUHPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN5O2/c1-10-5-6-11(16)7-12(10)20-13(22)8-18-15(17-2)19-9-14(23)21(3)4/h5-7H,8-9H2,1-4H3,(H,20,22)(H2,17,18,19).
What are the key properties of N-(5-bromo-2-methylphenyl)-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide?
N-(5-bromo-2-methylphenyl)-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide has a molecular weight of 384.28 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-2-[[N-[2-(dimethylamino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]acetamide is sourced from PubChem (CID 119132968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).