(3R,4R)-1-N-ethyl-3-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide

C19H29N3O3 — CID 93150296

IUPAC(3R,4R)-1-N-ethyl-3-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide
SMILESCCNC(=O)N1C[C@H](C(=O)NCCCOC)[C@H](c2ccc(C)cc2)C1
InChIInChI=1S/C19H29N3O3/c1-4-20-19(24)22-12-16(15-8-6-14(2)7-9-15)17(13-22)18(23)21-10-5-11-25-3/h6-9,16-17H,4-5,10-13H2,1-3H3,(H,20,24)(H,21,23)/t16-,17-/m0/s1
InChIKeyGOEXADXWGQJLEC-IRXDYDNUSA-N
MW347.46 g/mol
LogP1.89
Rot. Bonds7

About (3R,4R)-1-N-ethyl-3-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide

(3R,4R)-1-N-ethyl-3-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide (PubChem CID 93150296) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3R,4R)-1-N-ethyl-3-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R,4R)-1-N-ethyl-3-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide
PubChem CID93150296
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(3R,4R)-1-N-ethyl-3-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide
SMILESCCNC(=O)N1C[C@H](C(=O)NCCCOC)[C@H](c2ccc(C)cc2)C1
InChIInChI=1S/C19H29N3O3/c1-4-20-19(24)22-12-16(15-8-6-14(2)7-9-15)17(13-22)18(23)21-10-5-11-25-3/h6-9,16-17H,4-5,10-13H2,1-3H3,(H,20,24)(H,21,23)/t16-,17-/m0/s1
InChIKeyGOEXADXWGQJLEC-IRXDYDNUSA-N
XLogP1.89
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-1-(4-fluorobenzoyl)-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 93149659
1-N-ethyl-3-N-(3-methylbutyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide
CID 42826351
(3S,4R)-N-(3-methoxypropyl)-1-(3-methylbutanoyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 97479027
(3S,4S)-N-(3-methoxypropyl)-4-(4-methylphenyl)-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxamide
CID 93149666
4-(2,4-dimethoxyphenyl)-1-N-ethyl-3-N-(3-methoxypropyl)pyrrolidine-1,3-dicarboxamide
CID 42681845
1-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide
CID 42680230
(3S,4R)-N-butyl-4-(4-fluorophenyl)-1-(4-methylbenzoyl)pyrrolidine-3-carboxamide
CID 93151567
(3S,4S)-3-N-butyl-1-N-ethyl-4-(3,4,5-trimethoxyphenyl)pyrrolidine-1,3-dicarboxamide
CID 93150349
3-N-butyl-1-N-ethyl-4-(3-fluorophenyl)pyrrolidine-1,3-dicarboxamide
CID 71956269
2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133163
(3S,4R)-3-(dimethylamino)-N-ethyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 70761953
1-(4-methylbenzoyl)-N-(3-methylbutyl)-4-(4-methylphenyl)pyrrolidine-3-carboxamide
CID 42826243

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-N-ethyl-3-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide?
The IUPAC name of (3R,4R)-1-N-ethyl-3-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide (CID 93150296) is (3R,4R)-1-N-ethyl-3-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for (3R,4R)-1-N-ethyl-3-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for (3R,4R)-1-N-ethyl-3-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide is CCNC(=O)N1C[C@H](C(=O)NCCCOC)[C@H](c2ccc(C)cc2)C1.
What is the InChIKey of (3R,4R)-1-N-ethyl-3-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide?
The InChIKey is GOEXADXWGQJLEC-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-20-19(24)22-12-16(15-8-6-14(2)7-9-15)17(13-22)18(23)21-10-5-11-25-3/h6-9,16-17H,4-5,10-13H2,1-3H3,(H,20,24)(H,21,23)/t16-,17-/m0/s1.
What are the key properties of (3R,4R)-1-N-ethyl-3-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide?
(3R,4R)-1-N-ethyl-3-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-N-ethyl-3-N-(3-methoxypropyl)-4-(4-methylphenyl)pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 93150296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).