N-[2-(diethylamino)ethyl]-2-methyl-5-(2-propan-2-ylphenyl)-1H-pyrrole-3-carboxamide

C21H31N3O — CID 91067817

IUPACN-[2-(diethylamino)ethyl]-2-methyl-5-(2-propan-2-ylphenyl)-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2ccccc2C(C)C)[nH]c1C
InChIInChI=1S/C21H31N3O/c1-6-24(7-2)13-12-22-21(25)19-14-20(23-16(19)5)18-11-9-8-10-17(18)15(3)4/h8-11,14-15,23H,6-7,12-13H2,1-5H3,(H,22,25)
InChIKeyLGSUOIHLBNWRFG-UHFFFAOYSA-N
MW341.50 g/mol
LogP4.19
Rot. Bonds8

About N-[2-(diethylamino)ethyl]-2-methyl-5-(2-propan-2-ylphenyl)-1H-pyrrole-3-carboxamide

N-[2-(diethylamino)ethyl]-2-methyl-5-(2-propan-2-ylphenyl)-1H-pyrrole-3-carboxamide (PubChem CID 91067817) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-methyl-5-(2-propan-2-ylphenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-methyl-5-(2-propan-2-ylphenyl)-1H-pyrrole-3-carboxamide
PubChem CID91067817
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC NameN-[2-(diethylamino)ethyl]-2-methyl-5-(2-propan-2-ylphenyl)-1H-pyrrole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(-c2ccccc2C(C)C)[nH]c1C
InChIInChI=1S/C21H31N3O/c1-6-24(7-2)13-12-22-21(25)19-14-20(23-16(19)5)18-11-9-8-10-17(18)15(3)4/h8-11,14-15,23H,6-7,12-13H2,1-5H3,(H,22,25)
InChIKeyLGSUOIHLBNWRFG-UHFFFAOYSA-N
XLogP4.19
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(diethylamino)ethylcarbamoyl]benzoic acid
CID 17218370
N-[2-(diethylamino)ethyl]-2-hydroxybenzamide;hydrochloride
CID 21331721
2-chloro-N-[2-(diethylamino)ethyl]-5-methylbenzamide
CID 142825813
5-(4-tert-butylphenyl)-N-[2-(diethylamino)ethyl]-2-(2-nitrophenyl)-1H-pyrrole-3-carboxamide
CID 170695582
N-[2-(diethylamino)ethyl]-2-fluoro-5-methylbenzamide
CID 62509349
N-[2-(diethylamino)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103384967
2-chloro-N-[2-(diethylamino)ethyl]-4-fluorobenzamide
CID 17144545
N-[2-(diethylamino)ethyl]-2-nitrobenzamide
CID 15943
2-chloro-N-[2-(diethylamino)ethyl]quinoline-3-carboxamide
CID 2308981
3-chloro-N-[2-(diethylamino)ethyl]-2-hydroxybenzamide
CID 21331733
2,5-diamino-N-[2-(diethylamino)ethyl]benzamide
CID 21398311
N-[2-(diethylamino)ethyl]-1-methylacridine-4-carboxamide
CID 59228677

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-methyl-5-(2-propan-2-ylphenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-methyl-5-(2-propan-2-ylphenyl)-1H-pyrrole-3-carboxamide (CID 91067817) is N-[2-(diethylamino)ethyl]-2-methyl-5-(2-propan-2-ylphenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-methyl-5-(2-propan-2-ylphenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-methyl-5-(2-propan-2-ylphenyl)-1H-pyrrole-3-carboxamide is CCN(CC)CCNC(=O)c1cc(-c2ccccc2C(C)C)[nH]c1C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-methyl-5-(2-propan-2-ylphenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is LGSUOIHLBNWRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-6-24(7-2)13-12-22-21(25)19-14-20(23-16(19)5)18-11-9-8-10-17(18)15(3)4/h8-11,14-15,23H,6-7,12-13H2,1-5H3,(H,22,25).
What are the key properties of N-[2-(diethylamino)ethyl]-2-methyl-5-(2-propan-2-ylphenyl)-1H-pyrrole-3-carboxamide?
N-[2-(diethylamino)ethyl]-2-methyl-5-(2-propan-2-ylphenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 341.50 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-methyl-5-(2-propan-2-ylphenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 91067817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).