N-[[4-(diethylcarbamoyl)phenyl]methyl]-2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carboxamide

C22H34N4O2 — CID 136525157

IUPACN-[[4-(diethylcarbamoyl)phenyl]methyl]-2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carboxamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)N2CCCC2C2CCCN2C)cc1
InChIInChI=1S/C22H34N4O2/c1-4-25(5-2)21(27)18-12-10-17(11-13-18)16-23-22(28)26-15-7-9-20(26)19-8-6-14-24(19)3/h10-13,19-20H,4-9,14-16H2,1-3H3,(H,23,28)
InChIKeyOMZWPNSNXJFFDR-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.94
Rot. Bonds6

About N-[[4-(diethylcarbamoyl)phenyl]methyl]-2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carboxamide

N-[[4-(diethylcarbamoyl)phenyl]methyl]-2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carboxamide (PubChem CID 136525157) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[[4-(diethylcarbamoyl)phenyl]methyl]-2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(diethylcarbamoyl)phenyl]methyl]-2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carboxamide
PubChem CID136525157
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-[[4-(diethylcarbamoyl)phenyl]methyl]-2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carboxamide
SMILESCCN(CC)C(=O)c1ccc(CNC(=O)N2CCCC2C2CCCN2C)cc1
InChIInChI=1S/C22H34N4O2/c1-4-25(5-2)21(27)18-12-10-17(11-13-18)16-23-22(28)26-15-7-9-20(26)19-8-6-14-24(19)3/h10-13,19-20H,4-9,14-16H2,1-3H3,(H,23,28)
InChIKeyOMZWPNSNXJFFDR-UHFFFAOYSA-N
XLogP2.94
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 86984501
N-[[4-(diethylcarbamoyl)phenyl]methyl]-3-ethoxypiperidine-1-carboxamide
CID 47755944
1-benzoyl-N-[[4-(diethylcarbamoyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 112821500
4-[[(2-cyclobutylpyrrolidine-1-carbonyl)amino]methyl]benzoic acid
CID 122019573
4-[[[(1,3-dimethylpiperidin-4-yl)-methylcarbamoyl]amino]methyl]-N,N-diethylbenzamide
CID 136513710
4-(acetamidomethyl)-N-[[4-(diethylcarbamoyl)phenyl]methyl]benzamide
CID 39020952
4-[[[2-(2-methylpropyl)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122019638
N,N-diethyl-4-[[(4-methylsulfinylbenzoyl)amino]methyl]benzamide
CID 86983565
2-[1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 106900464
N-[[4-(diethylcarbamoyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119283556
ethyl 1-[N-[[4-(diethylcarbamoyl)phenyl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156152
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 110909640

Frequently Asked Questions

What is the IUPAC name of N-[[4-(diethylcarbamoyl)phenyl]methyl]-2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[[4-(diethylcarbamoyl)phenyl]methyl]-2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carboxamide (CID 136525157) is N-[[4-(diethylcarbamoyl)phenyl]methyl]-2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[4-(diethylcarbamoyl)phenyl]methyl]-2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[4-(diethylcarbamoyl)phenyl]methyl]-2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carboxamide is CCN(CC)C(=O)c1ccc(CNC(=O)N2CCCC2C2CCCN2C)cc1.
What is the InChIKey of N-[[4-(diethylcarbamoyl)phenyl]methyl]-2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is OMZWPNSNXJFFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-4-25(5-2)21(27)18-12-10-17(11-13-18)16-23-22(28)26-15-7-9-20(26)19-8-6-14-24(19)3/h10-13,19-20H,4-9,14-16H2,1-3H3,(H,23,28).
What are the key properties of N-[[4-(diethylcarbamoyl)phenyl]methyl]-2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carboxamide?
N-[[4-(diethylcarbamoyl)phenyl]methyl]-2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(diethylcarbamoyl)phenyl]methyl]-2-(1-methylpyrrolidin-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136525157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).