N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide

C26H33N3O2 — CID 167807671

IUPACN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide
SMILESCCCN(CC(=O)NCc1ccc(N2CCCC2=O)cc1)C1CCc2ccccc2C1
InChIInChI=1S/C26H33N3O2/c1-2-15-28(24-14-11-21-6-3-4-7-22(21)17-24)19-25(30)27-18-20-9-12-23(13-10-20)29-16-5-8-26(29)31/h3-4,6-7,9-10,12-13,24H,2,5,8,11,14-19H2,1H3,(H,27,30)
InChIKeyZTFLOACQUCWRDH-UHFFFAOYSA-N
MW419.57 g/mol
LogP3.70
Rot. Bonds8

About N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide (PubChem CID 167807671) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide
PubChem CID167807671
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide
SMILESCCCN(CC(=O)NCc1ccc(N2CCCC2=O)cc1)C1CCc2ccccc2C1
InChIInChI=1S/C26H33N3O2/c1-2-15-28(24-14-11-21-6-3-4-7-22(21)17-24)19-25(30)27-18-20-9-12-23(13-10-20)29-16-5-8-26(29)31/h3-4,6-7,9-10,12-13,24H,2,5,8,11,14-19H2,1H3,(H,27,30)
InChIKeyZTFLOACQUCWRDH-UHFFFAOYSA-N
XLogP3.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
2-[propyl-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]acetamide
CID 94199166
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9305669
1-(2,3-dihydro-1H-inden-1-yl)-3-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]urea
CID 51325904
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
2-[(R)-ethylsulfinyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 97228046
N-[[4-(diethylaminomethyl)phenyl]methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8948642
2-(2-methylphenyl)sulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589035
3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 134034707
3-(azocan-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 91797431
2-(benzotriazol-2-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 91764346

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide?
The IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide (CID 167807671) is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide.
What is the SMILES notation for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide?
The canonical SMILES for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide is CCCN(CC(=O)NCc1ccc(N2CCCC2=O)cc1)C1CCc2ccccc2C1.
What is the InChIKey of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide?
The InChIKey is ZTFLOACQUCWRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-2-15-28(24-14-11-21-6-3-4-7-22(21)17-24)19-25(30)27-18-20-9-12-23(13-10-20)29-16-5-8-26(29)31/h3-4,6-7,9-10,12-13,24H,2,5,8,11,14-19H2,1H3,(H,27,30).
What are the key properties of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide?
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide has a molecular weight of 419.57 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-[propyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]acetamide is sourced from PubChem (CID 167807671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).