trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide

C34H30N4O2 — CID 2321929

IUPACtrans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
SMILESC=C1[C@@H](C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)[C@@H]1C(=O)Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C34H30N4O2/c1-4-37-27-12-8-6-10-23(27)25-18-21(14-16-29(25)37)35-33(39)31-20(3)32(31)34(40)36-22-15-17-30-26(19-22)24-11-7-9-13-28(24)38(30)5-2/h6-19,31-32H,3-5H2,1-2H3,(H,35,39)(H,36,40)/t31-,32-/m1/s1
InChIKeyUFHKYZOZWNWUPL-ROJLCIKYSA-N
MW526.64 g/mol
LogP7.32
Rot. Bonds6

About trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide

trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide (PubChem CID 2321929) has the molecular formula C34H30N4O2 and a molecular weight of 526.64 g/mol. Its IUPAC name is trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
PubChem CID2321929
Molecular FormulaC34H30N4O2
Molecular Weight526.64 g/mol
Exact Mass526.24
IUPAC Nametrans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
SMILESC=C1[C@@H](C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)[C@@H]1C(=O)Nc1ccc2c(c1)c1ccccc1n2CC
InChIInChI=1S/C34H30N4O2/c1-4-37-27-12-8-6-10-23(27)25-18-21(14-16-29(25)37)35-33(39)31-20(3)32(31)34(40)36-22-15-17-30-26(19-22)24-11-7-9-13-28(24)38(30)5-2/h6-19,31-32H,3-5H2,1-2H3,(H,35,39)(H,36,40)/t31-,32-/m1/s1
InChIKeyUFHKYZOZWNWUPL-ROJLCIKYSA-N
XLogP7.32
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide 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

N-(9-ethylcarbazol-3-yl)-4-methylidenepyrrolidine-2-carboxamide
CID 22223551
N-(9-ethylcarbazol-3-yl)-2-sulfanylacetamide
CID 54424608
1-acetyl-N-(9-ethylcarbazol-3-yl)piperidine-4-carboxamide
CID 17127014
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
(2S)-N-(9-ethylcarbazol-3-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119262851
N-(9-ethylcarbazol-3-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 71898551
phenyl N-(9-ethylcarbazol-3-yl)carbamate
CID 2182675
N-(9-ethylcarbazol-3-yl)-3,5,7-trimethyladamantane-1-carboxamide
CID 4301824
4-[(9-ethylcarbazol-3-yl)carbamoyl]oxane-4-carboxylic acid
CID 167766906
N-(9-ethylcarbazol-3-yl)-2-fluorobenzamide
CID 3128405
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
(2Z)-2-(dimethylamino)-N-(9-ethylcarbazol-3-yl)penta-2,4-dienamide
CID 142188591

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide?
The IUPAC name of trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide (CID 2321929) is trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide.
What is the SMILES notation for trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide?
The canonical SMILES for trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide is C=C1[C@@H](C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)[C@@H]1C(=O)Nc1ccc2c(c1)c1ccccc1n2CC.
What is the InChIKey of trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide?
The InChIKey is UFHKYZOZWNWUPL-ROJLCIKYSA-N. The full InChI is InChI=1S/C34H30N4O2/c1-4-37-27-12-8-6-10-23(27)25-18-21(14-16-29(25)37)35-33(39)31-20(3)32(31)34(40)36-22-15-17-30-26(19-22)24-11-7-9-13-28(24)38(30)5-2/h6-19,31-32H,3-5H2,1-2H3,(H,35,39)(H,36,40)/t31-,32-/m1/s1.
What are the key properties of trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide?
trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide has a molecular weight of 526.64 g/mol, XLogP of 7.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 2321929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).