(2S,4R)-4-[(9-ethylcarbazol-3-yl)methylamino]-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide

C26H36N4O2 — CID 45251340

IUPAC(2S,4R)-4-[(9-ethylcarbazol-3-yl)methylamino]-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCCn1c2ccccc2c2cc(CN[C@@H]3C[C@@H](C(=O)NCCOC)N(C(C)C)C3)ccc21
InChIInChI=1S/C26H36N4O2/c1-5-29-23-9-7-6-8-21(23)22-14-19(10-11-24(22)29)16-28-20-15-25(30(17-20)18(2)3)26(31)27-12-13-32-4/h6-11,14,18,20,25,28H,5,12-13,15-17H2,1-4H3,(H,27,31)/t20-,25+/m1/s1
InChIKeyGMIJNUDJMOYNFJ-NLFFAJNJSA-N
MW436.60 g/mol
LogP3.52
Rot. Bonds9

About (2S,4R)-4-[(9-ethylcarbazol-3-yl)methylamino]-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide

(2S,4R)-4-[(9-ethylcarbazol-3-yl)methylamino]-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 45251340) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is (2S,4R)-4-[(9-ethylcarbazol-3-yl)methylamino]-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-[(9-ethylcarbazol-3-yl)methylamino]-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID45251340
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name(2S,4R)-4-[(9-ethylcarbazol-3-yl)methylamino]-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCCn1c2ccccc2c2cc(CN[C@@H]3C[C@@H](C(=O)NCCOC)N(C(C)C)C3)ccc21
InChIInChI=1S/C26H36N4O2/c1-5-29-23-9-7-6-8-21(23)22-14-19(10-11-24(22)29)16-28-20-15-25(30(17-20)18(2)3)26(31)27-12-13-32-4/h6-11,14,18,20,25,28H,5,12-13,15-17H2,1-4H3,(H,27,31)/t20-,25+/m1/s1
InChIKeyGMIJNUDJMOYNFJ-NLFFAJNJSA-N
XLogP3.52
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-4-(benzylamino)-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide
CID 45222870
(2S,4R)-1-benzyl-4-[(9-ethylcarbazol-3-yl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 28667830
(2S,4R)-1-[(3-chlorophenyl)methyl]-4-[(9-ethylcarbazol-3-yl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 45243721
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099
(2S,4S)-N-ethyl-4-[(4-methylsulfanylphenyl)methylamino]-1-propan-2-ylpyrrolidine-2-carboxamide
CID 45223108
N-[(9-ethylcarbazol-3-yl)methyl]cyclopentanamine;hydrochloride
CID 17331028
(2S,4S)-1-benzyl-N-(2-methoxyethyl)-4-[(3-phenoxyphenyl)methylamino]pyrrolidine-2-carboxamide
CID 45226337
(2S,4S)-N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[(4-methoxynaphthalen-1-yl)methylamino]-1-propan-2-ylpyrrolidine-2-carboxamide
CID 28957740
(2S,4R)-1-[(3-chlorophenyl)methyl]-4-[(3,4-difluorophenyl)methylamino]-N-(2-methoxyethyl)pyrrolidine-2-carboxamide
CID 45210239
(2S,4S)-1-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-4-[(3-phenoxyphenyl)methylamino]pyrrolidine-2-carboxamide
CID 45237170
(E)-3-(9-ethylcarbazol-3-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 29198621
N-[(9-ethylcarbazol-3-yl)methyl]prop-2-enamide
CID 70174564

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[(9-ethylcarbazol-3-yl)methylamino]-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-[(9-ethylcarbazol-3-yl)methylamino]-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide (CID 45251340) is (2S,4R)-4-[(9-ethylcarbazol-3-yl)methylamino]-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-[(9-ethylcarbazol-3-yl)methylamino]-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-[(9-ethylcarbazol-3-yl)methylamino]-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide is CCn1c2ccccc2c2cc(CN[C@@H]3C[C@@H](C(=O)NCCOC)N(C(C)C)C3)ccc21.
What is the InChIKey of (2S,4R)-4-[(9-ethylcarbazol-3-yl)methylamino]-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is GMIJNUDJMOYNFJ-NLFFAJNJSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-5-29-23-9-7-6-8-21(23)22-14-19(10-11-24(22)29)16-28-20-15-25(30(17-20)18(2)3)26(31)27-12-13-32-4/h6-11,14,18,20,25,28H,5,12-13,15-17H2,1-4H3,(H,27,31)/t20-,25+/m1/s1.
What are the key properties of (2S,4R)-4-[(9-ethylcarbazol-3-yl)methylamino]-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4R)-4-[(9-ethylcarbazol-3-yl)methylamino]-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[(9-ethylcarbazol-3-yl)methylamino]-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 45251340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).