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

C30H36N4O — CID 28667830

IUPAC(2S,4R)-1-benzyl-4-[(9-ethylcarbazol-3-yl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCCn1c2ccccc2c2cc(CN[C@@H]3C[C@@H](C(=O)NC(C)C)N(Cc4ccccc4)C3)ccc21
InChIInChI=1S/C30H36N4O/c1-4-34-27-13-9-8-12-25(27)26-16-23(14-15-28(26)34)18-31-24-17-29(30(35)32-21(2)3)33(20-24)19-22-10-6-5-7-11-22/h5-16,21,24,29,31H,4,17-20H2,1-3H3,(H,32,35)/t24-,29+/m1/s1
InChIKeyULANLULLGLJXRZ-GIGWZHCTSA-N
MW468.65 g/mol
LogP5.07
Rot. Bonds8

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

(2S,4R)-1-benzyl-4-[(9-ethylcarbazol-3-yl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 28667830) has the molecular formula C30H36N4O and a molecular weight of 468.65 g/mol. Its IUPAC name is (2S,4R)-1-benzyl-4-[(9-ethylcarbazol-3-yl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-benzyl-4-[(9-ethylcarbazol-3-yl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID28667830
Molecular FormulaC30H36N4O
Molecular Weight468.65 g/mol
Exact Mass468.29
IUPAC Name(2S,4R)-1-benzyl-4-[(9-ethylcarbazol-3-yl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide
SMILESCCn1c2ccccc2c2cc(CN[C@@H]3C[C@@H](C(=O)NC(C)C)N(Cc4ccccc4)C3)ccc21
InChIInChI=1S/C30H36N4O/c1-4-34-27-13-9-8-12-25(27)26-16-23(14-15-28(26)34)18-31-24-17-29(30(35)32-21(2)3)33(20-24)19-22-10-6-5-7-11-22/h5-16,21,24,29,31H,4,17-20H2,1-3H3,(H,32,35)/t24-,29+/m1/s1
InChIKeyULANLULLGLJXRZ-GIGWZHCTSA-N
XLogP5.07
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.65
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-1-[(3-chlorophenyl)methyl]-4-[(9-ethylcarbazol-3-yl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 45243721
(2S,4R)-1-benzyl-4-[(3-methoxyphenyl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide
CID 126465083
(2S,4R)-4-[(9-ethylcarbazol-3-yl)methylamino]-N-(2-methoxyethyl)-1-propan-2-ylpyrrolidine-2-carboxamide
CID 45251340
N-[(9-ethylcarbazol-3-yl)methyl]cyclopentanamine;hydrochloride
CID 17331028
(2S,4R)-4-[(2,4-difluorophenyl)methylamino]-1-(naphthalen-2-ylmethyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 118758712
(2S,4S)-1-benzyl-N-ethyl-4-[(3-phenoxyphenyl)methylamino]pyrrolidine-2-carboxamide
CID 45249488
(2S)-2-[(9-ethylcarbazol-3-yl)methylamino]-3-methylbutanoic acid
CID 99124071
N-[(9-ethylcarbazol-3-yl)methyl]propan-2-amine;hydrochloride
CID 17156280
N-[(9-ethylcarbazol-3-yl)methyl]-2-methylpropanamide
CID 70245099
(2S,4S)-1-benzyl-N-methyl-4-[[3-(trifluoromethyl)phenyl]methylamino]pyrrolidine-2-carboxamide
CID 45223733
(2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide
CID 45245451
(2S,4R)-4-[(3-methylphenyl)methylamino]-N,1-di(propan-2-yl)pyrrolidine-2-carboxamide
CID 29152058

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-benzyl-4-[(9-ethylcarbazol-3-yl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-benzyl-4-[(9-ethylcarbazol-3-yl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide (CID 28667830) is (2S,4R)-1-benzyl-4-[(9-ethylcarbazol-3-yl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-benzyl-4-[(9-ethylcarbazol-3-yl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-benzyl-4-[(9-ethylcarbazol-3-yl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide is CCn1c2ccccc2c2cc(CN[C@@H]3C[C@@H](C(=O)NC(C)C)N(Cc4ccccc4)C3)ccc21.
What is the InChIKey of (2S,4R)-1-benzyl-4-[(9-ethylcarbazol-3-yl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is ULANLULLGLJXRZ-GIGWZHCTSA-N. The full InChI is InChI=1S/C30H36N4O/c1-4-34-27-13-9-8-12-25(27)26-16-23(14-15-28(26)34)18-31-24-17-29(30(35)32-21(2)3)33(20-24)19-22-10-6-5-7-11-22/h5-16,21,24,29,31H,4,17-20H2,1-3H3,(H,32,35)/t24-,29+/m1/s1.
What are the key properties of (2S,4R)-1-benzyl-4-[(9-ethylcarbazol-3-yl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide?
(2S,4R)-1-benzyl-4-[(9-ethylcarbazol-3-yl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 468.65 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-benzyl-4-[(9-ethylcarbazol-3-yl)methylamino]-N-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 28667830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).