2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide

C16H23N3O2 — CID 61366011

IUPAC2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)CC2CCCN2)c1
InChIInChI=1S/C16H23N3O2/c1-11(2)16(21)19-14-6-3-5-13(9-14)18-15(20)10-12-7-4-8-17-12/h3,5-6,9,11-12,17H,4,7-8,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVUDCUMVIMSCXHE-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.36
Rot. Bonds5

About 2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide

2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide (PubChem CID 61366011) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide
PubChem CID61366011
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(NC(=O)CC2CCCN2)c1
InChIInChI=1S/C16H23N3O2/c1-11(2)16(21)19-14-6-3-5-13(9-14)18-15(20)10-12-7-4-8-17-12/h3,5-6,9,11-12,17H,4,7-8,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyVUDCUMVIMSCXHE-UHFFFAOYSA-N
XLogP2.36
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2-piperidin-2-ylacetamide
CID 43151365
N-(3-propan-2-ylphenyl)-2-pyrrolidin-2-ylacetamide
CID 61372360
N-[3-(carbamoylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 61364636
N-(3-methylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670441
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
2-methyl-N-[4-[[(2-pyrrolidin-2-ylacetyl)amino]methyl]phenyl]propanamide
CID 119701241
N-(3-ethoxyphenyl)-2-pyrrolidin-2-ylacetamide
CID 61363868
N-[3-(1-piperidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537205
N-ethyl-3-[(2-pyrrolidin-2-ylacetyl)amino]benzamide
CID 61364037
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 61365428
N-(3-phenoxyphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119673254
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide (CID 61366011) is 2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide is CC(C)C(=O)Nc1cccc(NC(=O)CC2CCCN2)c1.
What is the InChIKey of 2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide?
The InChIKey is VUDCUMVIMSCXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(2)16(21)19-14-6-3-5-13(9-14)18-15(20)10-12-7-4-8-17-12/h3,5-6,9,11-12,17H,4,7-8,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide?
2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide has a molecular weight of 289.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(2-pyrrolidin-2-ylacetyl)amino]phenyl]propanamide is sourced from PubChem (CID 61366011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).