ethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate

C15H17NO3 — CID 169480970

IUPACethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C15H17NO3/c1-2-19-14(17)10-5-11-3-6-12(7-4-11)15(18)16-13-8-9-13/h3-7,10,13H,2,8-9H2,1H3,(H,16,18)
InChIKeyUIPGRWRUEVREIU-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.16
Rot. Bonds5

About ethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate

ethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate (PubChem CID 169480970) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is ethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate
PubChem CID169480970
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Nameethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C15H17NO3/c1-2-19-14(17)10-5-11-3-6-12(7-4-11)15(18)16-13-8-9-13/h3-7,10,13H,2,8-9H2,1H3,(H,16,18)
InChIKeyUIPGRWRUEVREIU-UHFFFAOYSA-N
XLogP2.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.16
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

ethyl 4-[[(E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoyl]amino]butanoate
CID 37254949
(2,3,6-trimethylphenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate
CID 52567173
ethyl (E)-3-[4-(oxan-2-yloxycarbamoyl)phenyl]prop-2-enoate
CID 142704315
N-cyclopropyl-4-[(E)-3-[methoxy(methyl)amino]-3-oxoprop-1-enyl]benzamide
CID 31829368
N-cyclopropyl-4-[(E)-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]benzamide
CID 35551214
(4-acetamidophenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate
CID 35737555
ethyl 3-(4-benzoylphenyl)prop-2-enoate
CID 73018400
ethyl (E)-3-(4-propanoylphenyl)prop-2-enoate
CID 18348054
N-cyclopropyl-4-[(E)-3-(3-methoxypropylamino)-3-oxoprop-1-enyl]benzamide
CID 35556653
N-cyclopropyl-4-[(E)-3-[2-(4-ethylbenzoyl)hydrazinyl]-3-oxoprop-1-enyl]benzamide
CID 134048452
(3-carbamoylphenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate
CID 55642993
N-cyclopropyl-4-[(E)-3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxoprop-1-enyl]benzamide
CID 39640138

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate?
The IUPAC name of ethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate (CID 169480970) is ethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate.
What is the SMILES notation for ethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate?
The canonical SMILES for ethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate is CCOC(=O)C=Cc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of ethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate?
The InChIKey is UIPGRWRUEVREIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-19-14(17)10-5-11-3-6-12(7-4-11)15(18)16-13-8-9-13/h3-7,10,13H,2,8-9H2,1H3,(H,16,18).
What are the key properties of ethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate?
ethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate has a molecular weight of 259.31 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate is sourced from PubChem (CID 169480970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).