ethyl 3-[2-(dimethylcarbamoylamino)phenyl]prop-2-enoate

C14H18N2O3 — CID 175393232

IUPACethyl 3-[2-(dimethylcarbamoylamino)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccccc1NC(=O)N(C)C
InChIInChI=1S/C14H18N2O3/c1-4-19-13(17)10-9-11-7-5-6-8-12(11)15-14(18)16(2)3/h5-10H,4H2,1-3H3,(H,15,18)
InChIKeyKODVKHIAGPSXQV-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.36
Rot. Bonds4

About ethyl 3-[2-(dimethylcarbamoylamino)phenyl]prop-2-enoate

ethyl 3-[2-(dimethylcarbamoylamino)phenyl]prop-2-enoate (PubChem CID 175393232) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 3-[2-(dimethylcarbamoylamino)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[2-(dimethylcarbamoylamino)phenyl]prop-2-enoate
PubChem CID175393232
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nameethyl 3-[2-(dimethylcarbamoylamino)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccccc1NC(=O)N(C)C
InChIInChI=1S/C14H18N2O3/c1-4-19-13(17)10-9-11-7-5-6-8-12(11)15-14(18)16(2)3/h5-10H,4H2,1-3H3,(H,15,18)
InChIKeyKODVKHIAGPSXQV-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-[2-(propanoylamino)phenyl]prop-2-enoate
CID 14143898
ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
CID 70254002
ethyl 3-(2-iodophenyl)prop-2-enoate
CID 74333106
methyl (E)-3-[2-[(2-aminoacetyl)amino]phenyl]prop-2-enoate
CID 70253716
ethyl N-[2-(3-oxo-3-phenylprop-1-enyl)phenyl]carbamate
CID 123146032
methyl 3-[2-(carbamothioylamino)phenyl]prop-2-enoate
CID 169357258
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
ethyl 3-[2-(2-methoxy-2-oxoethyl)phenyl]prop-2-enoate
CID 169480754
ethyl (E)-3-[2-[[2-(4-bromophenyl)-2-oxoethyl]amino]phenyl]prop-2-enoate
CID 174881127
ethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate
CID 134890301
(E)-3-[2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]phenyl]prop-2-enoic acid
CID 22301101
ethyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807744

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(dimethylcarbamoylamino)phenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[2-(dimethylcarbamoylamino)phenyl]prop-2-enoate (CID 175393232) is ethyl 3-[2-(dimethylcarbamoylamino)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[2-(dimethylcarbamoylamino)phenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[2-(dimethylcarbamoylamino)phenyl]prop-2-enoate is CCOC(=O)C=Cc1ccccc1NC(=O)N(C)C.
What is the InChIKey of ethyl 3-[2-(dimethylcarbamoylamino)phenyl]prop-2-enoate?
The InChIKey is KODVKHIAGPSXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-4-19-13(17)10-9-11-7-5-6-8-12(11)15-14(18)16(2)3/h5-10H,4H2,1-3H3,(H,15,18).
What are the key properties of ethyl 3-[2-(dimethylcarbamoylamino)phenyl]prop-2-enoate?
ethyl 3-[2-(dimethylcarbamoylamino)phenyl]prop-2-enoate has a molecular weight of 262.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(dimethylcarbamoylamino)phenyl]prop-2-enoate is sourced from PubChem (CID 175393232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).