ethyl N-[N-[(2S)-1-[(3-cyano-1-ethyl-5,5-dimethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate

C24H42N6O4 — CID 10205957

IUPACethyl N-[N-[(2S)-1-[(3-cyano-1-ethyl-5,5-dimethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
SMILESCCOC(=O)N/C(=N\[C@@H](CC(C)(C)C)C(=O)NC1(C#N)CN(CC)C(C)(C)C1)N1CCOCC1
InChIInChI=1S/C24H42N6O4/c1-8-30-17-24(16-25,15-23(30,6)7)28-19(31)18(14-22(3,4)5)26-20(27-21(32)34-9-2)29-10-12-33-13-11-29/h18H,8-15,17H2,1-7H3,(H,28,31)(H,26,27,32)/t18-,24?/m0/s1
InChIKeySOPZYFOQZWMDEK-VEXWJQHLSA-N
MW478.64 g/mol
LogP2.11
Rot. Bonds6

About ethyl N-[N-[(2S)-1-[(3-cyano-1-ethyl-5,5-dimethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate

ethyl N-[N-[(2S)-1-[(3-cyano-1-ethyl-5,5-dimethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate (PubChem CID 10205957) has the molecular formula C24H42N6O4 and a molecular weight of 478.64 g/mol. Its IUPAC name is ethyl N-[N-[(2S)-1-[(3-cyano-1-ethyl-5,5-dimethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[N-[(2S)-1-[(3-cyano-1-ethyl-5,5-dimethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
PubChem CID10205957
Molecular FormulaC24H42N6O4
Molecular Weight478.64 g/mol
Exact Mass478.33
IUPAC Nameethyl N-[N-[(2S)-1-[(3-cyano-1-ethyl-5,5-dimethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate
SMILESCCOC(=O)N/C(=N\[C@@H](CC(C)(C)C)C(=O)NC1(C#N)CN(CC)C(C)(C)C1)N1CCOCC1
InChIInChI=1S/C24H42N6O4/c1-8-30-17-24(16-25,15-23(30,6)7)28-19(31)18(14-22(3,4)5)26-20(27-21(32)34-9-2)29-10-12-33-13-11-29/h18H,8-15,17H2,1-7H3,(H,28,31)(H,26,27,32)/t18-,24?/m0/s1
InChIKeySOPZYFOQZWMDEK-VEXWJQHLSA-N
XLogP2.11
TPSA119.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethyl N-[N-[(2S)-1-[(3-cyano-1-ethyl-5,5-dimethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[N-[(2S)-1-[(3-cyano-1-ethyl-5,5-dimethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate?
The IUPAC name of ethyl N-[N-[(2S)-1-[(3-cyano-1-ethyl-5,5-dimethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate (CID 10205957) is ethyl N-[N-[(2S)-1-[(3-cyano-1-ethyl-5,5-dimethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate.
What is the SMILES notation for ethyl N-[N-[(2S)-1-[(3-cyano-1-ethyl-5,5-dimethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate?
The canonical SMILES for ethyl N-[N-[(2S)-1-[(3-cyano-1-ethyl-5,5-dimethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate is CCOC(=O)N/C(=N\[C@@H](CC(C)(C)C)C(=O)NC1(C#N)CN(CC)C(C)(C)C1)N1CCOCC1.
What is the InChIKey of ethyl N-[N-[(2S)-1-[(3-cyano-1-ethyl-5,5-dimethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate?
The InChIKey is SOPZYFOQZWMDEK-VEXWJQHLSA-N. The full InChI is InChI=1S/C24H42N6O4/c1-8-30-17-24(16-25,15-23(30,6)7)28-19(31)18(14-22(3,4)5)26-20(27-21(32)34-9-2)29-10-12-33-13-11-29/h18H,8-15,17H2,1-7H3,(H,28,31)(H,26,27,32)/t18-,24?/m0/s1.
What are the key properties of ethyl N-[N-[(2S)-1-[(3-cyano-1-ethyl-5,5-dimethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate?
ethyl N-[N-[(2S)-1-[(3-cyano-1-ethyl-5,5-dimethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate has a molecular weight of 478.64 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[N-[(2S)-1-[(3-cyano-1-ethyl-5,5-dimethylpyrrolidin-3-yl)amino]-4,4-dimethyl-1-oxopentan-2-yl]-C-morpholin-4-ylcarbonimidoyl]carbamate is sourced from PubChem (CID 10205957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).