ethane;N-[4-[[N-[[4-(pyrrolidine-2-carbonylamino)phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide

C32H41N5O2 — CID 90855570

IUPACethane;N-[4-[[N-[[4-(pyrrolidine-2-carbonylamino)phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide
SMILESCC.O=C(Nc1ccc(CN(Cc2ccc(NC(=O)C3CCCN3)cc2)c2ccccc2)cc1)C1CCCN1
InChIInChI=1S/C30H35N5O2.C2H6/c36-29(27-8-4-18-31-27)33-24-14-10-22(11-15-24)20-35(26-6-2-1-3-7-26)21-23-12-16-25(17-13-23)34-30(37)28-9-5-19-32-28;1-2/h1-3,6-7,10-17,27-28,31-32H,4-5,8-9,18-21H2,(H,33,36)(H,34,37);1-2H3
InChIKeyGRTFBLUPKIRSST-UHFFFAOYSA-N
MW527.71 g/mol
LogP5.30
Rot. Bonds9

About ethane;N-[4-[[N-[[4-(pyrrolidine-2-carbonylamino)phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide

ethane;N-[4-[[N-[[4-(pyrrolidine-2-carbonylamino)phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide (PubChem CID 90855570) has the molecular formula C32H41N5O2 and a molecular weight of 527.71 g/mol. Its IUPAC name is ethane;N-[4-[[N-[[4-(pyrrolidine-2-carbonylamino)phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Nameethane;N-[4-[[N-[[4-(pyrrolidine-2-carbonylamino)phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide
PubChem CID90855570
Molecular FormulaC32H41N5O2
Molecular Weight527.71 g/mol
Exact Mass527.33
IUPAC Nameethane;N-[4-[[N-[[4-(pyrrolidine-2-carbonylamino)phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide
SMILESCC.O=C(Nc1ccc(CN(Cc2ccc(NC(=O)C3CCCN3)cc2)c2ccccc2)cc1)C1CCCN1
InChIInChI=1S/C30H35N5O2.C2H6/c36-29(27-8-4-18-31-27)33-24-14-10-22(11-15-24)20-35(26-6-2-1-3-7-26)21-23-12-16-25(17-13-23)34-30(37)28-9-5-19-32-28;1-2/h1-3,6-7,10-17,27-28,31-32H,4-5,8-9,18-21H2,(H,33,36)(H,34,37);1-2H3
InChIKeyGRTFBLUPKIRSST-UHFFFAOYSA-N
XLogP5.30
TPSA85.50 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.71
LogP ≤ 55.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze ethane;N-[4-[[N-[[4-(pyrrolidine-2-carbonylamino)phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide 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

(2S)-N-[4-[[N-[[4-[(E)-2-[(2S)-pyrrolidin-2-yl]ethenyl]phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide
CID 66749838
N-[4-[2-(N-methylanilino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119298239
N-[4-[[N-[[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide
CID 140555660
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]piperidine-2-carboxamide
CID 119286338
3-[4-(pyrrolidine-2-carbonylamino)phenyl]propanoic acid
CID 115339993
(2R)-N-[4-(dimethylamino)phenyl]pyrrolidine-2-carboxamide
CID 103813174
(2R)-N-[4-(aminomethyl)phenyl]pyrrolidine-2-carboxamide
CID 143190903
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2S)-N-(4-butylphenyl)pyrrolidine-2-carboxamide
CID 61156078
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
(2S)-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidine-2-carboxamide
CID 61178516
N-[4-(ethoxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 71987055

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-[[N-[[4-(pyrrolidine-2-carbonylamino)phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of ethane;N-[4-[[N-[[4-(pyrrolidine-2-carbonylamino)phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide (CID 90855570) is ethane;N-[4-[[N-[[4-(pyrrolidine-2-carbonylamino)phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for ethane;N-[4-[[N-[[4-(pyrrolidine-2-carbonylamino)phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for ethane;N-[4-[[N-[[4-(pyrrolidine-2-carbonylamino)phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide is CC.O=C(Nc1ccc(CN(Cc2ccc(NC(=O)C3CCCN3)cc2)c2ccccc2)cc1)C1CCCN1.
What is the InChIKey of ethane;N-[4-[[N-[[4-(pyrrolidine-2-carbonylamino)phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is GRTFBLUPKIRSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2.C2H6/c36-29(27-8-4-18-31-27)33-24-14-10-22(11-15-24)20-35(26-6-2-1-3-7-26)21-23-12-16-25(17-13-23)34-30(37)28-9-5-19-32-28;1-2/h1-3,6-7,10-17,27-28,31-32H,4-5,8-9,18-21H2,(H,33,36)(H,34,37);1-2H3.
What are the key properties of ethane;N-[4-[[N-[[4-(pyrrolidine-2-carbonylamino)phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide?
ethane;N-[4-[[N-[[4-(pyrrolidine-2-carbonylamino)phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 527.71 g/mol, XLogP of 5.30, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-[[N-[[4-(pyrrolidine-2-carbonylamino)phenyl]methyl]anilino]methyl]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 90855570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).