[4-(ethylcarbamoyl)phenyl]carbamic acid;propane

C13H20N2O3 — CID 142227182

IUPAC[4-(ethylcarbamoyl)phenyl]carbamic acid;propane
SMILESCCC.CCNC(=O)c1ccc(NC(=O)O)cc1
InChIInChI=1S/C10H12N2O3.C3H8/c1-2-11-9(13)7-3-5-8(6-4-7)12-10(14)15;1-3-2/h3-6,12H,2H2,1H3,(H,11,13)(H,14,15);3H2,1-2H3
InChIKeyXEJXLXTXGLOERI-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.94
Rot. Bonds3

About [4-(ethylcarbamoyl)phenyl]carbamic acid;propane

[4-(ethylcarbamoyl)phenyl]carbamic acid;propane (PubChem CID 142227182) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is [4-(ethylcarbamoyl)phenyl]carbamic acid;propane.

Molecular Properties

Compound Name[4-(ethylcarbamoyl)phenyl]carbamic acid;propane
PubChem CID142227182
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name[4-(ethylcarbamoyl)phenyl]carbamic acid;propane
SMILESCCC.CCNC(=O)c1ccc(NC(=O)O)cc1
InChIInChI=1S/C10H12N2O3.C3H8/c1-2-11-9(13)7-3-5-8(6-4-7)12-10(14)15;1-3-2/h3-6,12H,2H2,1H3,(H,11,13)(H,14,15);3H2,1-2H3
InChIKeyXEJXLXTXGLOERI-UHFFFAOYSA-N
XLogP2.94
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzamido-N-ethylbenzamide
CID 17153265
N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 17234281
3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoic acid
CID 55049118
N-ethyl-4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54839505
N-[4-(ethylcarbamoyl)phenyl]-2-methylbenzamide
CID 17234252
methyl N-[4-(ethylcarbamoyl)phenyl]carbamate
CID 17123934
(E)-4-[4-(ethylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 17234256
N-ethyl-4-[(4-methylsulfanylbenzoyl)amino]benzamide
CID 78892378
N-ethyl-4-[[2-(propylamino)acetyl]amino]benzamide
CID 54818586
methyl 3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoate
CID 28638135
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
4-(2-aminopropanoylamino)-N-ethylbenzamide
CID 43712262

Frequently Asked Questions

What is the IUPAC name of [4-(ethylcarbamoyl)phenyl]carbamic acid;propane?
The IUPAC name of [4-(ethylcarbamoyl)phenyl]carbamic acid;propane (CID 142227182) is [4-(ethylcarbamoyl)phenyl]carbamic acid;propane.
What is the SMILES notation for [4-(ethylcarbamoyl)phenyl]carbamic acid;propane?
The canonical SMILES for [4-(ethylcarbamoyl)phenyl]carbamic acid;propane is CCC.CCNC(=O)c1ccc(NC(=O)O)cc1.
What is the InChIKey of [4-(ethylcarbamoyl)phenyl]carbamic acid;propane?
The InChIKey is XEJXLXTXGLOERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3.C3H8/c1-2-11-9(13)7-3-5-8(6-4-7)12-10(14)15;1-3-2/h3-6,12H,2H2,1H3,(H,11,13)(H,14,15);3H2,1-2H3.
What are the key properties of [4-(ethylcarbamoyl)phenyl]carbamic acid;propane?
[4-(ethylcarbamoyl)phenyl]carbamic acid;propane has a molecular weight of 252.31 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylcarbamoyl)phenyl]carbamic acid;propane is sourced from PubChem (CID 142227182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).