2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate

C12H18N4O3 — CID 83202470

IUPAC2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate
SMILESCN(C)C(=O)c1ccc(N)c(NCCOC(N)=O)c1
InChIInChI=1S/C12H18N4O3/c1-16(2)11(17)8-3-4-9(13)10(7-8)15-5-6-19-12(14)18/h3-4,7,15H,5-6,13H2,1-2H3,(H2,14,18)
InChIKeyBOXLXINRQUVDPT-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.48
Rot. Bonds5

About 2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate

2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate (PubChem CID 83202470) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate.

Molecular Properties

Compound Name2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate
PubChem CID83202470
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate
SMILESCN(C)C(=O)c1ccc(N)c(NCCOC(N)=O)c1
InChIInChI=1S/C12H18N4O3/c1-16(2)11(17)8-3-4-9(13)10(7-8)15-5-6-19-12(14)18/h3-4,7,15H,5-6,13H2,1-2H3,(H2,14,18)
InChIKeyBOXLXINRQUVDPT-UHFFFAOYSA-N
XLogP0.48
TPSA110.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate
CID 83201801
4-amino-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]-N,N-dimethylbenzamide
CID 63358675
4-amino-N,N-dimethyl-3-(4,4,4-trifluorobutylamino)benzamide
CID 115515375
2-(2-amino-5-methoxyanilino)ethyl carbamate
CID 83202729
4-amino-3-(3-cyclopentylpropylamino)-N,N-dimethylbenzamide
CID 106007203
4-amino-3-[(2,3-dihydroxy-2-methylpropyl)amino]-N,N-dimethylbenzamide
CID 66169478
4-amino-3-[(4-chlorophenyl)methylamino]-N,N-dimethylbenzamide
CID 63361074
4-amino-N,N-dimethyl-3-[(1-methylcyclopentyl)methylamino]benzamide
CID 63821309
4-amino-N,N-dimethyl-3-[(5-methylfuran-2-yl)methylamino]benzamide
CID 63358984
4-amino-N,N-dimethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 106414327
4-amino-N,N-dimethyl-3-(pyridazin-3-ylmethylamino)benzamide
CID 106894872
methyl 2-[2-amino-5-(dimethylcarbamoyl)anilino]-3-methylbutanoate
CID 63358400

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate?
The IUPAC name of 2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate (CID 83202470) is 2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate.
What is the SMILES notation for 2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate?
The canonical SMILES for 2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate is CN(C)C(=O)c1ccc(N)c(NCCOC(N)=O)c1.
What is the InChIKey of 2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate?
The InChIKey is BOXLXINRQUVDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-16(2)11(17)8-3-4-9(13)10(7-8)15-5-6-19-12(14)18/h3-4,7,15H,5-6,13H2,1-2H3,(H2,14,18).
What are the key properties of 2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate?
2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate has a molecular weight of 266.30 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate is sourced from PubChem (CID 83202470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).