2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide

C17H25N3O2 — CID 858395

IUPAC2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NC(=O)CN2CCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-17(2,3)16(22)19-14-8-6-13(7-9-14)18-15(21)12-20-10-4-5-11-20/h6-9H,4-5,10-12H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyRMLIYPGRIZTRNL-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.71
Rot. Bonds4

About 2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide

2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide (PubChem CID 858395) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide
PubChem CID858395
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NC(=O)CN2CCCC2)cc1
InChIInChI=1S/C17H25N3O2/c1-17(2,3)16(22)19-14-8-6-13(7-9-14)18-15(21)12-20-10-4-5-11-20/h6-9H,4-5,10-12H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyRMLIYPGRIZTRNL-UHFFFAOYSA-N
XLogP2.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-phenylpropanamide;dihydrochloride
CID 120595365
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]sulfanylphenyl]acetamide
CID 53323507
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814408
2-pyrrolidin-1-yl-N-[4-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenoxy]phenyl]acetamide
CID 647483
(2S)-2-amino-N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-3,3-dimethylbutanamide
CID 119871145
N-[4-[[2-(azocan-1-yl)acetyl]amino]phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704274
methyl 4-[(2-pyrrolidin-1-ylacetyl)amino]benzoate
CID 558416
N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-2-methylpropanamide
CID 54814594
3-methyl-N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]butanamide
CID 54815187
2-[4-(2,2-dimethylpropanoyl)-1,4-diazepan-1-yl]-N-(4-methylphenyl)acetamide
CID 171327747
methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 566860
N-[4-(tert-butylamino)phenyl]-2-piperazin-1-ylacetamide;N-[4-(tert-butylamino)phenyl]-2-piperidin-1-ylacetamide;methane
CID 158031783

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide (CID 858395) is 2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide is CC(C)(C)C(=O)Nc1ccc(NC(=O)CN2CCCC2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide?
The InChIKey is RMLIYPGRIZTRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-17(2,3)16(22)19-14-8-6-13(7-9-14)18-15(21)12-20-10-4-5-11-20/h6-9H,4-5,10-12H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide?
2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide has a molecular weight of 303.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[(2-pyrrolidin-1-ylacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 858395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).