(2R)-N-[[4-[[4-[(2-aminophenyl)carbamoyl]phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride

C26H30Cl2N4O3 — CID 169450142

IUPAC(2R)-N-[[4-[[4-[(2-aminophenyl)carbamoyl]phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1NC(=O)c1ccc(COc2ccc(CNC(=O)[C@H]3CCCN3)cc2)cc1
InChIInChI=1S/C26H28N4O3.2ClH/c27-22-4-1-2-5-23(22)30-25(31)20-11-7-19(8-12-20)17-33-21-13-9-18(10-14-21)16-29-26(32)24-6-3-15-28-24;;/h1-2,4-5,7-14,24,28H,3,6,15-17,27H2,(H,29,32)(H,30,31);2*1H/t24-;;/m1../s1
InChIKeyUFARUDAPUKLDQM-PPLJNSMQSA-N
MW517.46 g/mol
LogP4.31
Rot. Bonds8

About (2R)-N-[[4-[[4-[(2-aminophenyl)carbamoyl]phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride

(2R)-N-[[4-[[4-[(2-aminophenyl)carbamoyl]phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride (PubChem CID 169450142) has the molecular formula C26H30Cl2N4O3 and a molecular weight of 517.46 g/mol. Its IUPAC name is (2R)-N-[[4-[[4-[(2-aminophenyl)carbamoyl]phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[[4-[[4-[(2-aminophenyl)carbamoyl]phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
PubChem CID169450142
Molecular FormulaC26H30Cl2N4O3
Molecular Weight517.46 g/mol
Exact Mass516.17
IUPAC Name(2R)-N-[[4-[[4-[(2-aminophenyl)carbamoyl]phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
SMILESCl.Cl.Nc1ccccc1NC(=O)c1ccc(COc2ccc(CNC(=O)[C@H]3CCCN3)cc2)cc1
InChIInChI=1S/C26H28N4O3.2ClH/c27-22-4-1-2-5-23(22)30-25(31)20-11-7-19(8-12-20)17-33-21-13-9-18(10-14-21)16-29-26(32)24-6-3-15-28-24;;/h1-2,4-5,7-14,24,28H,3,6,15-17,27H2,(H,29,32)(H,30,31);2*1H/t24-;;/m1../s1
InChIKeyUFARUDAPUKLDQM-PPLJNSMQSA-N
XLogP4.31
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.46
LogP ≤ 54.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R)-N-[[4-[[4-[(2-aminophenyl)carbamoyl]phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride 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-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 176799707
N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119296140
(2S)-N-[[4-[(2-amino-5-thiophen-2-ylphenyl)carbamoyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 25157970
(2S)-N-[2-(4-phenylmethoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 119296149
N-[[4-(2-methoxyethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119289297
N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119277640
N-[[4-(2-methoxyethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 119289286
4-[(pyrrolidine-2-carbonylamino)methyl]benzoic acid
CID 61156861
(4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82550160
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119271349
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-[(4-phenylmethoxyphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119283165

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-[[4-[(2-aminophenyl)carbamoyl]phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-[[4-[[4-[(2-aminophenyl)carbamoyl]phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride (CID 169450142) is (2R)-N-[[4-[[4-[(2-aminophenyl)carbamoyl]phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[[4-[[4-[(2-aminophenyl)carbamoyl]phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-[[4-[[4-[(2-aminophenyl)carbamoyl]phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride is Cl.Cl.Nc1ccccc1NC(=O)c1ccc(COc2ccc(CNC(=O)[C@H]3CCCN3)cc2)cc1.
What is the InChIKey of (2R)-N-[[4-[[4-[(2-aminophenyl)carbamoyl]phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride?
The InChIKey is UFARUDAPUKLDQM-PPLJNSMQSA-N. The full InChI is InChI=1S/C26H28N4O3.2ClH/c27-22-4-1-2-5-23(22)30-25(31)20-11-7-19(8-12-20)17-33-21-13-9-18(10-14-21)16-29-26(32)24-6-3-15-28-24;;/h1-2,4-5,7-14,24,28H,3,6,15-17,27H2,(H,29,32)(H,30,31);2*1H/t24-;;/m1../s1.
What are the key properties of (2R)-N-[[4-[[4-[(2-aminophenyl)carbamoyl]phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride?
(2R)-N-[[4-[[4-[(2-aminophenyl)carbamoyl]phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride has a molecular weight of 517.46 g/mol, XLogP of 4.31, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-[[4-[(2-aminophenyl)carbamoyl]phenyl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 169450142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).