3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide

C25H33N3O2 — CID 55336268

IUPAC3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C25H33N3O2/c1-19(2)24(27-23(29)17-20-11-5-3-6-12-20)25(30)26-18-22(28-15-9-10-16-28)21-13-7-4-8-14-21/h3-8,11-14,19,22,24H,9-10,15-18H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyHNRUDZLXAJBKPM-UHFFFAOYSA-N
MW407.56 g/mol
LogP3.32
Rot. Bonds9

About 3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide

3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide (PubChem CID 55336268) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide.

Molecular Properties

Compound Name3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
PubChem CID55336268
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)NCC(c1ccccc1)N1CCCC1
InChIInChI=1S/C25H33N3O2/c1-19(2)24(27-23(29)17-20-11-5-3-6-12-20)25(30)26-18-22(28-15-9-10-16-28)21-13-7-4-8-14-21/h3-8,11-14,19,22,24H,9-10,15-18H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyHNRUDZLXAJBKPM-UHFFFAOYSA-N
XLogP3.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide
CID 43843128
N-(2-amino-2-phenylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide;hydrochloride
CID 119527674
N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide
CID 34952082
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
2-[(2-naphthalen-1-ylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 43005218
(2S)-2-amino-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide;dihydrochloride
CID 119831434
3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide
CID 120829738
2,2-difluoro-N-(2-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 103514779
N-[2-(4-ethylpiperazin-1-yl)-2-phenylethyl]-2-phenylacetamide
CID 112504499
3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 43005231
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(propan-2-ylamino)acetamide
CID 61249970
N-[(2S)-1-(azepan-1-yl)-3-methyl-1-oxobutan-2-yl]-2-phenylacetamide
CID 9036546

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide?
The IUPAC name of 3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide (CID 55336268) is 3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide.
What is the SMILES notation for 3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide?
The canonical SMILES for 3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide is CC(C)C(NC(=O)Cc1ccccc1)C(=O)NCC(c1ccccc1)N1CCCC1.
What is the InChIKey of 3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide?
The InChIKey is HNRUDZLXAJBKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-19(2)24(27-23(29)17-20-11-5-3-6-12-20)25(30)26-18-22(28-15-9-10-16-28)21-13-7-4-8-14-21/h3-8,11-14,19,22,24H,9-10,15-18H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide?
3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide has a molecular weight of 407.56 g/mol, XLogP of 3.32, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-phenylacetyl)amino]-N-(2-phenyl-2-pyrrolidin-1-ylethyl)butanamide is sourced from PubChem (CID 55336268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).