[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate

C22H21N3O3 — CID 3458466

IUPAC[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCCn1c2ccccc2c2cc(NC(=O)COC(=O)c3cccn3C)ccc21
InChIInChI=1S/C22H21N3O3/c1-3-25-18-8-5-4-7-16(18)17-13-15(10-11-19(17)25)23-21(26)14-28-22(27)20-9-6-12-24(20)2/h4-13H,3,14H2,1-2H3,(H,23,26)
InChIKeyWOCNZEUBVBSMTC-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.95
Rot. Bonds5

About [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate

[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate (PubChem CID 3458466) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
PubChem CID3458466
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCCn1c2ccccc2c2cc(NC(=O)COC(=O)c3cccn3C)ccc21
InChIInChI=1S/C22H21N3O3/c1-3-25-18-8-5-4-7-16(18)17-13-15(10-11-19(17)25)23-21(26)14-28-22(27)20-9-6-12-24(20)2/h4-13H,3,14H2,1-2H3,(H,23,26)
InChIKeyWOCNZEUBVBSMTC-UHFFFAOYSA-N
XLogP3.95
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(9-ethylcarbazol-3-yl)-1-methylpyrrole-2-carboxamide
CID 10267869
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 2416616
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] adamantane-1-carboxylate
CID 23990804
N-(9-ethylcarbazol-3-yl)-2-naphthalen-2-yloxyacetamide
CID 3107361
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
N-(9-ethylcarbazol-3-yl)-2-(1-methyl-2-oxoquinolin-4-yl)oxyacetamide
CID 20861837
[2-(4-butylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7284646
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 8886696
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate
CID 74655425
[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 1-methylpyrrole-2-carboxylate
CID 7284641
3-ethoxy-N-(9-ethylcarbazol-3-yl)propanamide
CID 56502139

Frequently Asked Questions

What is the IUPAC name of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate (CID 3458466) is [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate is CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3cccn3C)ccc21.
What is the InChIKey of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The InChIKey is WOCNZEUBVBSMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-3-25-18-8-5-4-7-16(18)17-13-15(10-11-19(17)25)23-21(26)14-28-22(27)20-9-6-12-24(20)2/h4-13H,3,14H2,1-2H3,(H,23,26).
What are the key properties of [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 3458466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).