3-(9-ethylcarbazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide

C25H30N4O3 — CID 103599343

IUPAC3-(9-ethylcarbazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide
SMILESCCn1c2ccccc2c2cc(C=CC(=O)NCC(=O)NCCN3CCOCC3)ccc21
InChIInChI=1S/C25H30N4O3/c1-2-29-22-6-4-3-5-20(22)21-17-19(7-9-23(21)29)8-10-24(30)27-18-25(31)26-11-12-28-13-15-32-16-14-28/h3-10,17H,2,11-16,18H2,1H3,(H,26,31)(H,27,30)
InChIKeyJZKMOBPMKMDABS-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.39
Rot. Bonds8

About 3-(9-ethylcarbazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide

3-(9-ethylcarbazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide (PubChem CID 103599343) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-(9-ethylcarbazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(9-ethylcarbazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide
PubChem CID103599343
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name3-(9-ethylcarbazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide
SMILESCCn1c2ccccc2c2cc(C=CC(=O)NCC(=O)NCCN3CCOCC3)ccc21
InChIInChI=1S/C25H30N4O3/c1-2-29-22-6-4-3-5-20(22)21-17-19(7-9-23(21)29)8-10-24(30)27-18-25(31)26-11-12-28-13-15-32-16-14-28/h3-10,17H,2,11-16,18H2,1H3,(H,26,31)(H,27,30)
InChIKeyJZKMOBPMKMDABS-UHFFFAOYSA-N
XLogP2.39
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 55394225
(E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 29198621
N-[3-(dimethylamino)propyl]-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 72684242
(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 27396981
(E)-3-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 842683
2-[4-[(E)-3-(9-ethylcarbazol-3-yl)prop-2-enoyl]piperazin-1-yl]-N-methylacetamide
CID 78813382
(E)-N-(3-morpholin-4-ylpropyl)-3-phenylprop-2-enamide
CID 2319063
(E)-3-(9-ethylcarbazol-3-yl)-N-methyl-N-(oxolan-3-yl)prop-2-enamide
CID 86896908
2-(1-ethyl-2-oxoquinolin-4-yl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 22334549
(E)-3-(3,5-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 36842232
(E)-3-[2-benzyl-5-(3-morpholin-4-ylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-8-yl]-N-hydroxyprop-2-enamide
CID 141259100
(E)-3-(2-bromophenyl)-N-(2-morpholin-4-ylethyl)prop-2-enamide
CID 51159430

Frequently Asked Questions

What is the IUPAC name of 3-(9-ethylcarbazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide?
The IUPAC name of 3-(9-ethylcarbazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide (CID 103599343) is 3-(9-ethylcarbazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for 3-(9-ethylcarbazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide?
The canonical SMILES for 3-(9-ethylcarbazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide is CCn1c2ccccc2c2cc(C=CC(=O)NCC(=O)NCCN3CCOCC3)ccc21.
What is the InChIKey of 3-(9-ethylcarbazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide?
The InChIKey is JZKMOBPMKMDABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-2-29-22-6-4-3-5-20(22)21-17-19(7-9-23(21)29)8-10-24(30)27-18-25(31)26-11-12-28-13-15-32-16-14-28/h3-10,17H,2,11-16,18H2,1H3,(H,26,31)(H,27,30).
What are the key properties of 3-(9-ethylcarbazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide?
3-(9-ethylcarbazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide has a molecular weight of 434.54 g/mol, XLogP of 2.39, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-ethylcarbazol-3-yl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 103599343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).