(E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide

C16H20N2O5 — CID 173273336

IUPAC(E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
SMILESCC(O)N(C(=O)N(CC=O)C(=O)/C=C/c1ccccc1)C(C)O
InChIInChI=1S/C16H20N2O5/c1-12(20)18(13(2)21)16(23)17(10-11-19)15(22)9-8-14-6-4-3-5-7-14/h3-9,11-13,20-21H,10H2,1-2H3/b9-8+
InChIKeyJOHLOJMSFVDQPV-CMDGGOBGSA-N
MW320.35 g/mol
LogP0.83
Rot. Bonds6

About (E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide

(E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide (PubChem CID 173273336) has the molecular formula C16H20N2O5 and a molecular weight of 320.35 g/mol. Its IUPAC name is (E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
PubChem CID173273336
Molecular FormulaC16H20N2O5
Molecular Weight320.35 g/mol
Exact Mass320.14
IUPAC Name(E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
SMILESCC(O)N(C(=O)N(CC=O)C(=O)/C=C/c1ccccc1)C(C)O
InChIInChI=1S/C16H20N2O5/c1-12(20)18(13(2)21)16(23)17(10-11-19)15(22)9-8-14-6-4-3-5-7-14/h3-9,11-13,20-21H,10H2,1-2H3/b9-8+
InChIKeyJOHLOJMSFVDQPV-CMDGGOBGSA-N
XLogP0.83
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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-[methoxy(methyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54344523
N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54222824
(E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273813
N-[ethoxy(ethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54377008
(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
N-[bis(2-methoxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54263824
(E)-N-[ethyl(ethylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273719
(E)-N-(2-oxoethyl)-3-phenyl-N-(phenylcarbamoyl)prop-2-enamide
CID 173273877
methyl 2-[[2-oxoethyl-[(E)-3-phenylprop-2-enoyl]carbamoyl]amino]acetate
CID 173273881

Frequently Asked Questions

What is the IUPAC name of (E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide (CID 173273336) is (E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide is CC(O)N(C(=O)N(CC=O)C(=O)/C=C/c1ccccc1)C(C)O.
What is the InChIKey of (E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide?
The InChIKey is JOHLOJMSFVDQPV-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-12(20)18(13(2)21)16(23)17(10-11-19)15(22)9-8-14-6-4-3-5-7-14/h3-9,11-13,20-21H,10H2,1-2H3/b9-8+.
What are the key properties of (E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide?
(E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide has a molecular weight of 320.35 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[bis(1-hydroxyethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 173273336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).