ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate

C14H20N2O3 — CID 43385028

IUPACethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-4-19-13(17)9-15-14(18)16-12-7-5-6-11(8-12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,15,16,18)
InChIKeyKBRJIQPUIUAURY-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.49
Rot. Bonds5

About ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate

ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate (PubChem CID 43385028) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
PubChem CID43385028
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)Nc1cccc(C(C)C)c1
InChIInChI=1S/C14H20N2O3/c1-4-19-13(17)9-15-14(18)16-12-7-5-6-11(8-12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,15,16,18)
InChIKeyKBRJIQPUIUAURY-UHFFFAOYSA-N
XLogP2.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[(3-propan-2-ylphenyl)carbamoylamino]acetamide
CID 49277700
ethyl 2-[[4-(1-hydroxyethyl)phenyl]carbamoylamino]acetate
CID 61340701
ethyl 4-[[amino-(3-propan-2-ylanilino)methylidene]amino]butanoate
CID 111025644
1-(4-hydroxy-2,2-dimethylpentyl)-3-(3-propan-2-ylphenyl)urea
CID 111473397
ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate
CID 60812030
ethyl 2-[(3,4-difluorophenyl)carbamoylamino]acetate
CID 17174426
ethyl 2-[(4-propan-2-yloxyphenyl)carbamoylamino]acetate
CID 43445676
ethyl 2-[(4-fluoro-3-methylphenyl)carbamoylamino]acetate
CID 62813455
ethyl 2-[(3-fluoro-4-methylphenyl)carbamoylamino]acetate
CID 43385057
2-[[3-[1-(ethylamino)ethyl]phenyl]carbamoylamino]acetamide
CID 61339992
methyl 3-[[3-(1-aminoethyl)phenyl]carbamoylamino]propanoate
CID 61341694
2-[[3-(2-ethoxy-2-oxoethyl)phenyl]carbamoylamino]acetic acid
CID 142638455

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate?
The IUPAC name of ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate (CID 43385028) is ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate is CCOC(=O)CNC(=O)Nc1cccc(C(C)C)c1.
What is the InChIKey of ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate?
The InChIKey is KBRJIQPUIUAURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-19-13(17)9-15-14(18)16-12-7-5-6-11(8-12)10(2)3/h5-8,10H,4,9H2,1-3H3,(H2,15,16,18).
What are the key properties of ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate?
ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate has a molecular weight of 264.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-propan-2-ylphenyl)carbamoylamino]acetate is sourced from PubChem (CID 43385028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).