(3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide

C21H25N3O2 — CID 125178178

IUPAC(3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide
SMILESCCNC(=O)[C@@H]1CCN(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)C1
InChIInChI=1S/C21H25N3O2/c1-3-22-20(25)18-11-12-24(14-18)21(26)23-19-9-7-16(8-10-19)17-6-4-5-15(2)13-17/h4-10,13,18H,3,11-12,14H2,1-2H3,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyGMSFEVOWVFNDCX-GOSISDBHSA-N
MW351.45 g/mol
LogP3.65
Rot. Bonds4

About (3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide

(3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide (PubChem CID 125178178) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide
PubChem CID125178178
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide
SMILESCCNC(=O)[C@@H]1CCN(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)C1
InChIInChI=1S/C21H25N3O2/c1-3-22-20(25)18-11-12-24(14-18)21(26)23-19-9-7-16(8-10-19)17-6-4-5-15(2)13-17/h4-10,13,18H,3,11-12,14H2,1-2H3,(H,22,25)(H,23,26)/t18-/m1/s1
InChIKeyGMSFEVOWVFNDCX-GOSISDBHSA-N
XLogP3.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-[4-[(2,4-dimethylphenyl)carbamoylamino]phenyl]-3-N-ethylpiperidine-1,3-dicarboxamide
CID 50845712
3-N-ethyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 50846126
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
(3S,4S)-3,4-dihydroxy-N-[3-(3-methylphenyl)phenyl]piperidine-1-carboxamide
CID 118767375
1-[(1R)-cyclohex-3-ene-1-carbonyl]-N-[4-(3-methylphenyl)phenyl]piperidine-4-carboxamide
CID 25493262
(3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 125166963
ethyl 1-[(4-phenylphenyl)carbamoyl]piperidine-4-carboxylate
CID 108867004
(3R)-3-N-ethyl-1-N-[4-[(4-ethylphenyl)carbamoylamino]phenyl]piperidine-1,3-dicarboxamide
CID 95116259
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
N-[4-(3-methylphenyl)phenyl]-1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidine-4-carboxamide
CID 42394081
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
3-N-[2-(methylamino)ethyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119501337

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide (CID 125178178) is (3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide is CCNC(=O)[C@@H]1CCN(C(=O)Nc2ccc(-c3cccc(C)c3)cc2)C1.
What is the InChIKey of (3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is GMSFEVOWVFNDCX-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-3-22-20(25)18-11-12-24(14-18)21(26)23-19-9-7-16(8-10-19)17-6-4-5-15(2)13-17/h4-10,13,18H,3,11-12,14H2,1-2H3,(H,22,25)(H,23,26)/t18-/m1/s1.
What are the key properties of (3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide?
(3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-ethyl-1-N-[4-(3-methylphenyl)phenyl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 125178178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).