N-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide

C18H24N2O5 — CID 54263824

IUPACN-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
SMILESCOCCN(CCOC)C(=O)N(CC=O)C(=O)C=Cc1ccccc1
InChIInChI=1S/C18H24N2O5/c1-24-14-11-19(12-15-25-2)18(23)20(10-13-21)17(22)9-8-16-6-4-3-5-7-16/h3-9,13H,10-12,14-15H2,1-2H3
InChIKeySETQYSOEQRWLCS-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.44
Rot. Bonds10

About N-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide

N-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide (PubChem CID 54263824) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
PubChem CID54263824
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC NameN-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
SMILESCOCCN(CCOC)C(=O)N(CC=O)C(=O)C=Cc1ccccc1
InChIInChI=1S/C18H24N2O5/c1-24-14-11-19(12-15-25-2)18(23)20(10-13-21)17(22)9-8-16-6-4-3-5-7-16/h3-9,13H,10-12,14-15H2,1-2H3
InChIKeySETQYSOEQRWLCS-UHFFFAOYSA-N
XLogP1.44
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[methoxy(methyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54344523
(E)-N-(dimethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273669
(E)-N-acetyl-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273810
N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54222824
N-[ethoxy(ethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54377008
(E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273336
methyl 2-[[2-oxoethyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]acetate
CID 173273881
(E)-N-(2-methoxyethyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)prop-2-enamide
CID 106611607
(E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273813
(E)-N-(ethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273799
N-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide
CID 173273840
(E)-N-[ethyl(ethylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273719

Frequently Asked Questions

What is the IUPAC name of N-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide?
The IUPAC name of N-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide (CID 54263824) is N-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide.
What is the SMILES notation for N-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide?
The canonical SMILES for N-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide is COCCN(CCOC)C(=O)N(CC=O)C(=O)C=Cc1ccccc1.
What is the InChIKey of N-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide?
The InChIKey is SETQYSOEQRWLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-24-14-11-19(12-15-25-2)18(23)20(10-13-21)17(22)9-8-16-6-4-3-5-7-16/h3-9,13H,10-12,14-15H2,1-2H3.
What are the key properties of N-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide?
N-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide has a molecular weight of 348.40 g/mol, XLogP of 1.44, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 54263824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).