1-N-(3,5-dimethylphenyl)-2-N-(3-ethoxypropyl)pyrrolidine-1,2-dicarboxamide

C19H29N3O3 — CID 3230210

IUPAC1-N-(3,5-dimethylphenyl)-2-N-(3-ethoxypropyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOCCCNC(=O)C1CCCN1C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C19H29N3O3/c1-4-25-10-6-8-20-18(23)17-7-5-9-22(17)19(24)21-16-12-14(2)11-15(3)13-16/h11-13,17H,4-10H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyPFCHOROQMNOBBZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.84
Rot. Bonds7

About 1-N-(3,5-dimethylphenyl)-2-N-(3-ethoxypropyl)pyrrolidine-1,2-dicarboxamide

1-N-(3,5-dimethylphenyl)-2-N-(3-ethoxypropyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3230210) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-N-(3,5-dimethylphenyl)-2-N-(3-ethoxypropyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,5-dimethylphenyl)-2-N-(3-ethoxypropyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3230210
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-N-(3,5-dimethylphenyl)-2-N-(3-ethoxypropyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOCCCNC(=O)C1CCCN1C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C19H29N3O3/c1-4-25-10-6-8-20-18(23)17-7-5-9-22(17)19(24)21-16-12-14(2)11-15(3)13-16/h11-13,17H,4-10H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyPFCHOROQMNOBBZ-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
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

(2R)-2-N-(3-ethoxypropyl)-1-N-(3-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 7406182
(2S)-2-N-(3-ethoxypropyl)-1-N-(2-nitrophenyl)pyrrolidine-1,2-dicarboxamide
CID 7441391
(2S)-1-[(3,5-dimethylphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 40639332
(2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445811
1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
CID 150722678
4-N-(3-ethoxypropyl)-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
CID 651583
2-N-(cyclohexylmethyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3221241
tert-butyl (2R)-2-[(3,5-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 36765757
(2S)-2-N-[2-(4-chlorophenoxy)ethyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 28946991
(2R)-2-N-(3,4-dimethylphenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51684738
(2R)-1-N-phenyl-2-N-(2-phenylsulfanylethyl)pyrrolidine-1,2-dicarboxamide
CID 40602011
(2S)-1-N-phenyl-2-N-(2-phenylsulfanylethyl)pyrrolidine-1,2-dicarboxamide
CID 40602013

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,5-dimethylphenyl)-2-N-(3-ethoxypropyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(3,5-dimethylphenyl)-2-N-(3-ethoxypropyl)pyrrolidine-1,2-dicarboxamide (CID 3230210) is 1-N-(3,5-dimethylphenyl)-2-N-(3-ethoxypropyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3,5-dimethylphenyl)-2-N-(3-ethoxypropyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3,5-dimethylphenyl)-2-N-(3-ethoxypropyl)pyrrolidine-1,2-dicarboxamide is CCOCCCNC(=O)C1CCCN1C(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of 1-N-(3,5-dimethylphenyl)-2-N-(3-ethoxypropyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is PFCHOROQMNOBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-4-25-10-6-8-20-18(23)17-7-5-9-22(17)19(24)21-16-12-14(2)11-15(3)13-16/h11-13,17H,4-10H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 1-N-(3,5-dimethylphenyl)-2-N-(3-ethoxypropyl)pyrrolidine-1,2-dicarboxamide?
1-N-(3,5-dimethylphenyl)-2-N-(3-ethoxypropyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,5-dimethylphenyl)-2-N-(3-ethoxypropyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).