N,N-dimethyl-4-[[2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetyl]amino]benzamide

C25H27N3O2 — CID 47543700

IUPACN,N-dimethyl-4-[[2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CN2CCCC2c2cccc3ccccc23)cc1
InChIInChI=1S/C25H27N3O2/c1-27(2)25(30)19-12-14-20(15-13-19)26-24(29)17-28-16-6-11-23(28)22-10-5-8-18-7-3-4-9-21(18)22/h3-5,7-10,12-15,23H,6,11,16-17H2,1-2H3,(H,26,29)
InChIKeyTVCSLDCVLSLFHT-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.32
Rot. Bonds5

About N,N-dimethyl-4-[[2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetyl]amino]benzamide

N,N-dimethyl-4-[[2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetyl]amino]benzamide (PubChem CID 47543700) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetyl]amino]benzamide
PubChem CID47543700
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC NameN,N-dimethyl-4-[[2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetyl]amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CN2CCCC2c2cccc3ccccc23)cc1
InChIInChI=1S/C25H27N3O2/c1-27(2)25(30)19-12-14-20(15-13-19)26-24(29)17-28-16-6-11-23(28)22-10-5-8-18-7-3-4-9-21(18)22/h3-5,7-10,12-15,23H,6,11,16-17H2,1-2H3,(H,26,29)
InChIKeyTVCSLDCVLSLFHT-UHFFFAOYSA-N
XLogP4.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 11931448
N-(3-methoxypropyl)-2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetamide
CID 47706706
2-naphthalen-1-yl-1-[(2-naphthalen-1-ylpyrrolidin-1-yl)methyl]pyrrolidine
CID 143922780
1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908871
N-phenyl-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 18137699
N,N-diethyl-4-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 8974677
4-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 46802394
N-(4-methoxyphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 40810435
N,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 27223796
N,N-dimethyl-4-[[2-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)acetyl]amino]benzamide
CID 56792938
4-[[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 8582749
N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide
CID 9260477

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetyl]amino]benzamide?
The IUPAC name of N,N-dimethyl-4-[[2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetyl]amino]benzamide (CID 47543700) is N,N-dimethyl-4-[[2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetyl]amino]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetyl]amino]benzamide is CN(C)C(=O)c1ccc(NC(=O)CN2CCCC2c2cccc3ccccc23)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetyl]amino]benzamide?
The InChIKey is TVCSLDCVLSLFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-27(2)25(30)19-12-14-20(15-13-19)26-24(29)17-28-16-6-11-23(28)22-10-5-8-18-7-3-4-9-21(18)22/h3-5,7-10,12-15,23H,6,11,16-17H2,1-2H3,(H,26,29).
What are the key properties of N,N-dimethyl-4-[[2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetyl]amino]benzamide?
N,N-dimethyl-4-[[2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetyl]amino]benzamide has a molecular weight of 401.51 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-(2-naphthalen-1-ylpyrrolidin-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 47543700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).