N-[3-[4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-methyl-2-oxopyrrolidine-1-carboxamide

C24H35N3O2 — CID 15232750

IUPACN-[3-[4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-methyl-2-oxopyrrolidine-1-carboxamide
SMILESCN(CCCN1CC=C(c2ccc(C(C)(C)C)cc2)CC1)C(=O)N1CCCC1=O
InChIInChI=1S/C24H35N3O2/c1-24(2,3)21-10-8-19(9-11-21)20-12-17-26(18-13-20)15-6-14-25(4)23(29)27-16-5-7-22(27)28/h8-12H,5-7,13-18H2,1-4H3
InChIKeyQPCLLPDMBCTISF-UHFFFAOYSA-N
MW397.56 g/mol
LogP4.14
Rot. Bonds5

About N-[3-[4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-methyl-2-oxopyrrolidine-1-carboxamide

N-[3-[4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-methyl-2-oxopyrrolidine-1-carboxamide (PubChem CID 15232750) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-[3-[4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-methyl-2-oxopyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-methyl-2-oxopyrrolidine-1-carboxamide
PubChem CID15232750
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC NameN-[3-[4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-methyl-2-oxopyrrolidine-1-carboxamide
SMILESCN(CCCN1CC=C(c2ccc(C(C)(C)C)cc2)CC1)C(=O)N1CCCC1=O
InChIInChI=1S/C24H35N3O2/c1-24(2,3)21-10-8-19(9-11-21)20-12-17-26(18-13-20)15-6-14-25(4)23(29)27-16-5-7-22(27)28/h8-12H,5-7,13-18H2,1-4H3
InChIKeyQPCLLPDMBCTISF-UHFFFAOYSA-N
XLogP4.14
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxopyrrolidine-1-carboxamide
CID 14441128
1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]piperidine-2,6-dione
CID 21448171
4-(4-chlorophenyl)-1-hexyl-3,6-dihydro-2H-pyridine
CID 3775071
N-methyl-4-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 131950645
1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 3031486
4-[4-(4-bromophenyl)-3,6-dihydro-2H-pyridin-1-yl]butanehydrazide
CID 54317266
3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]propane-1-sulfonic acid
CID 11220282
N,4-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 130233945
N-(tert-butylcarbamoyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 2121907
4-[4-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 134362457
2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 18125117
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920586

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-methyl-2-oxopyrrolidine-1-carboxamide?
The IUPAC name of N-[3-[4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-methyl-2-oxopyrrolidine-1-carboxamide (CID 15232750) is N-[3-[4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-methyl-2-oxopyrrolidine-1-carboxamide.
What is the SMILES notation for N-[3-[4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-methyl-2-oxopyrrolidine-1-carboxamide?
The canonical SMILES for N-[3-[4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-methyl-2-oxopyrrolidine-1-carboxamide is CN(CCCN1CC=C(c2ccc(C(C)(C)C)cc2)CC1)C(=O)N1CCCC1=O.
What is the InChIKey of N-[3-[4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-methyl-2-oxopyrrolidine-1-carboxamide?
The InChIKey is QPCLLPDMBCTISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-24(2,3)21-10-8-19(9-11-21)20-12-17-26(18-13-20)15-6-14-25(4)23(29)27-16-5-7-22(27)28/h8-12H,5-7,13-18H2,1-4H3.
What are the key properties of N-[3-[4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-methyl-2-oxopyrrolidine-1-carboxamide?
N-[3-[4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-methyl-2-oxopyrrolidine-1-carboxamide has a molecular weight of 397.56 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-tert-butylphenyl)-3,6-dihydro-2H-pyridin-1-yl]propyl]-N-methyl-2-oxopyrrolidine-1-carboxamide is sourced from PubChem (CID 15232750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).