2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide

C17H25N3O2 — CID 119701241

IUPAC2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)CC2CCCN2)cc1
InChIInChI=1S/C17H25N3O2/c1-12(2)17(22)20-14-7-5-13(6-8-14)11-19-16(21)10-15-4-3-9-18-15/h5-8,12,15,18H,3-4,9-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJUNCIIJJPBRAEI-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.04
Rot. Bonds6

About 2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide

2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide (PubChem CID 119701241) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide
PubChem CID119701241
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)CC2CCCN2)cc1
InChIInChI=1S/C17H25N3O2/c1-12(2)17(22)20-14-7-5-13(6-8-14)11-19-16(21)10-15-4-3-9-18-15/h5-8,12,15,18H,3-4,9-11H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyJUNCIIJJPBRAEI-UHFFFAOYSA-N
XLogP2.04
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119730376
N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119730375
2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537703
N-[(4-tert-butylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119707437
N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61372532
2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide
CID 61366011
(2S)-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119701212
N-[4-[[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119701224
2-methyl-N-[2-[(2-pyrrolidin-2-ylacetyl)amino]ethyl]propanamide
CID 61365863
2-[4-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]acetic acid
CID 61366052
2-methyl-N-[4-[[(2-morpholin-2-ylacetyl)amino]methyl]phenyl]propanamide
CID 119701228
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119719041

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide (CID 119701241) is 2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide is CC(C)C(=O)Nc1ccc(CNC(=O)CC2CCCN2)cc1.
What is the InChIKey of 2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide?
The InChIKey is JUNCIIJJPBRAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12(2)17(22)20-14-7-5-13(6-8-14)11-19-16(21)10-15-4-3-9-18-15/h5-8,12,15,18H,3-4,9-11H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide?
2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide has a molecular weight of 303.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide is sourced from PubChem (CID 119701241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).