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

C12H18N4O3 — CID 83201801

IUPAC2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate
SMILESCCNC(=O)c1ccc(N)c(NCCOC(N)=O)c1
InChIInChI=1S/C12H18N4O3/c1-2-15-11(17)8-3-4-9(13)10(7-8)16-5-6-19-12(14)18/h3-4,7,16H,2,5-6,13H2,1H3,(H2,14,18)(H,15,17)
InChIKeyILBKGPBWXBSQKM-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.53
Rot. Bonds6

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

2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate (PubChem CID 83201801) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate.

Molecular Properties

Compound Name2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate
PubChem CID83201801
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate
SMILESCCNC(=O)c1ccc(N)c(NCCOC(N)=O)c1
InChIInChI=1S/C12H18N4O3/c1-2-15-11(17)8-3-4-9(13)10(7-8)16-5-6-19-12(14)18/h3-4,7,16H,2,5-6,13H2,1H3,(H2,14,18)(H,15,17)
InChIKeyILBKGPBWXBSQKM-UHFFFAOYSA-N
XLogP0.53
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.53
H-Bond Donors ≤ 54
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

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CID 55190007
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CID 63360956
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CID 83116178
2-[2-amino-5-(dimethylcarbamoyl)anilino]ethyl carbamate
CID 83202470
4-amino-3-[(4-amino-4-oxobutyl)amino]-N-ethylbenzamide
CID 63361145
4-amino-N-ethyl-3-[2-(3-methylbutoxy)ethylamino]benzamide
CID 63358449
4-amino-3-(2-cyclopentylethylamino)-N-ethylbenzamide
CID 63360616
4-amino-3-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166646
4-amino-N-ethyl-3-(2-pyridin-4-ylethylamino)benzamide
CID 63360526
2-(2-amino-5-methoxyanilino)ethyl carbamate
CID 83202729
4-amino-N-ethyl-3-[2-(furan-2-yl)ethylamino]benzamide
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4-amino-N-ethyl-3-(2-piperidin-1-ylethylamino)benzamide
CID 63361068

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate?
The IUPAC name of 2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate (CID 83201801) is 2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate.
What is the SMILES notation for 2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate?
The canonical SMILES for 2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate is CCNC(=O)c1ccc(N)c(NCCOC(N)=O)c1.
What is the InChIKey of 2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate?
The InChIKey is ILBKGPBWXBSQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-15-11(17)8-3-4-9(13)10(7-8)16-5-6-19-12(14)18/h3-4,7,16H,2,5-6,13H2,1H3,(H2,14,18)(H,15,17).
What are the key properties of 2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate?
2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate has a molecular weight of 266.30 g/mol, XLogP of 0.53, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-5-(ethylcarbamoyl)anilino]ethyl carbamate is sourced from PubChem (CID 83201801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).