2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(3-ethylphenyl)acetamide

C17H28N4O — CID 111159950

IUPAC2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(3-ethylphenyl)acetamide
SMILESCCCCN(C)/C(=N\C)NCC(=O)Nc1cccc(CC)c1
InChIInChI=1S/C17H28N4O/c1-5-7-11-21(4)17(18-3)19-13-16(22)20-15-10-8-9-14(6-2)12-15/h8-10,12H,5-7,11,13H2,1-4H3,(H,18,19)(H,20,22)
InChIKeyXGBHJIORZSJVSO-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.49
Rot. Bonds7

About 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(3-ethylphenyl)acetamide

2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(3-ethylphenyl)acetamide (PubChem CID 111159950) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(3-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(3-ethylphenyl)acetamide
PubChem CID111159950
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(3-ethylphenyl)acetamide
SMILESCCCCN(C)/C(=N\C)NCC(=O)Nc1cccc(CC)c1
InChIInChI=1S/C17H28N4O/c1-5-7-11-21(4)17(18-3)19-13-16(22)20-15-10-8-9-14(6-2)12-15/h8-10,12H,5-7,11,13H2,1-4H3,(H,18,19)(H,20,22)
InChIKeyXGBHJIORZSJVSO-UHFFFAOYSA-N
XLogP2.49
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[N,N'-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamimidoyl]amino]-N-(3-ethylphenyl)acetamide
CID 109422912
1-butyl-3-(3-ethylphenyl)-1-methylurea
CID 5202320
N-benzyl-2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]acetamide
CID 111158585
N-[3-[[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]cyclobutanecarboxamide;hydroiodide
CID 111159717
2-[[N-(3-butoxypropyl)-N'-methylcarbamimidoyl]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111239456
1-[[[N-[2-(3-ethylanilino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
CID 111571865
2-[[N-[(3-fluorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]-N-phenylacetamide;hydroiodide
CID 111285272
1-[[[N-[2-(3-ethylanilino)-2-oxoethyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylcyclopentane-1-carboxamide;hydroiodide
CID 111571864
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide
CID 119312070
N-(3-ethylphenyl)decanamide
CID 4053743
2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111158100
N-[3-[[(N-benzyl-N,N'-dimethylcarbamimidoyl)amino]methyl]phenyl]butanamide;hydroiodide
CID 110950881

Frequently Asked Questions

What is the IUPAC name of 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(3-ethylphenyl)acetamide?
The IUPAC name of 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(3-ethylphenyl)acetamide (CID 111159950) is 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(3-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(3-ethylphenyl)acetamide?
The canonical SMILES for 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(3-ethylphenyl)acetamide is CCCCN(C)/C(=N\C)NCC(=O)Nc1cccc(CC)c1.
What is the InChIKey of 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(3-ethylphenyl)acetamide?
The InChIKey is XGBHJIORZSJVSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-5-7-11-21(4)17(18-3)19-13-16(22)20-15-10-8-9-14(6-2)12-15/h8-10,12H,5-7,11,13H2,1-4H3,(H,18,19)(H,20,22).
What are the key properties of 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(3-ethylphenyl)acetamide?
2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(3-ethylphenyl)acetamide has a molecular weight of 304.44 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(3-ethylphenyl)acetamide is sourced from PubChem (CID 111159950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).