N-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide

C23H28N2O4 — CID 33317052

IUPACN-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
SMILESCCCOc1ccc(/C=C/C(=O)NCCNC(=O)c2ccccc2)cc1OCC
InChIInChI=1S/C23H28N2O4/c1-3-16-29-20-12-10-18(17-21(20)28-4-2)11-13-22(26)24-14-15-25-23(27)19-8-6-5-7-9-19/h5-13,17H,3-4,14-16H2,1-2H3,(H,24,26)(H,25,27)/b13-11+
InChIKeyYHVGKXTYNHMVPN-ACCUITESSA-N
MW396.49 g/mol
LogP3.43
Rot. Bonds11

About N-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide

N-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide (PubChem CID 33317052) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
PubChem CID33317052
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
SMILESCCCOc1ccc(/C=C/C(=O)NCCNC(=O)c2ccccc2)cc1OCC
InChIInChI=1S/C23H28N2O4/c1-3-16-29-20-12-10-18(17-21(20)28-4-2)11-13-22(26)24-14-15-25-23(27)19-8-6-5-7-9-19/h5-13,17H,3-4,14-16H2,1-2H3,(H,24,26)(H,25,27)/b13-11+
InChIKeyYHVGKXTYNHMVPN-ACCUITESSA-N
XLogP3.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(E)-3-(3,4-diethoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide
CID 38203835
3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide
CID 102603082
3-(3,4-diethoxyphenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 102603314
3-[3-(3,4-diethoxyphenyl)prop-2-enoylamino]propanoic acid
CID 131846364
3-[3-(3-ethoxy-4-propoxyphenyl)prop-2-enoylamino]-N-ethyl-4-methylbenzamide
CID 55782534
(E)-3-(3-ethoxy-4-propoxyphenyl)-N-propan-2-ylprop-2-enamide
CID 134016624
3-(4-ethoxy-3-methoxyphenyl)-N-(2-phenoxyethyl)prop-2-enamide
CID 102603120
N-[4-[[(E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19236857
3-(3,4-diethoxyphenyl)-N-[2-(pyrimidin-2-ylamino)ethyl]prop-2-enamide
CID 55932798
(E)-3-(3-methoxy-4-propoxyphenyl)-N-[2-(N-methylanilino)ethyl]prop-2-enamide
CID 30664111
(E)-N-benzyl-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 8713217
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 38573380

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide?
The IUPAC name of N-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide (CID 33317052) is N-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide.
What is the SMILES notation for N-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide?
The canonical SMILES for N-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide is CCCOc1ccc(/C=C/C(=O)NCCNC(=O)c2ccccc2)cc1OCC.
What is the InChIKey of N-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide?
The InChIKey is YHVGKXTYNHMVPN-ACCUITESSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-3-16-29-20-12-10-18(17-21(20)28-4-2)11-13-22(26)24-14-15-25-23(27)19-8-6-5-7-9-19/h5-13,17H,3-4,14-16H2,1-2H3,(H,24,26)(H,25,27)/b13-11+.
What are the key properties of N-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide?
N-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 3.43, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enoyl]amino]ethyl]benzamide is sourced from PubChem (CID 33317052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).