N-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide

C13H17N3O2 — CID 114155218

IUPACN-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNC1CNC(=O)C1
InChIInChI=1S/C13H17N3O2/c1-9(17)16-12-5-3-2-4-10(12)7-14-11-6-13(18)15-8-11/h2-5,11,14H,6-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyLAGNIKBBIQIBOP-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.62
Rot. Bonds4

About N-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide

N-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide (PubChem CID 114155218) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide
PubChem CID114155218
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNC1CNC(=O)C1
InChIInChI=1S/C13H17N3O2/c1-9(17)16-12-5-3-2-4-10(12)7-14-11-6-13(18)15-8-11/h2-5,11,14H,6-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyLAGNIKBBIQIBOP-UHFFFAOYSA-N
XLogP0.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(cyclohexylamino)methyl]phenyl]acetamide
CID 66289861
N-[2-[[(3-methoxycyclobutyl)amino]methyl]phenyl]acetamide
CID 113429848
3-[[(5-oxopyrrolidin-3-yl)amino]methyl]thiophene-2-carboxylic acid
CID 106190644
N-[2-[[(2,2-dimethyloxan-4-yl)amino]methyl]phenyl]acetamide
CID 115563696
4-[(2-chlorothiophen-3-yl)methylamino]pyrrolidin-2-one
CID 130681741
4-(2,3-dihydro-1H-indol-7-ylmethylamino)pyrrolidin-2-one
CID 114155169
4-[(2-prop-2-ynoxyphenyl)methylamino]pyrrolidin-2-one
CID 114155088
N-[2-[[(1-ethylpiperidin-3-yl)amino]methyl]phenyl]acetamide
CID 66419821
2-[[(6-oxopiperidin-3-yl)amino]methyl]benzamide
CID 63663722
2-amino-N-(5-oxopyrrolidin-3-yl)-3-phenylpropanamide
CID 106187812
5-methyl-4-[[(5-oxopyrrolidin-3-yl)amino]methyl]furan-2-carboxylic acid
CID 106190673
4-[(5-phenyl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106184519

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide (CID 114155218) is N-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNC1CNC(=O)C1.
What is the InChIKey of N-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide?
The InChIKey is LAGNIKBBIQIBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(17)16-12-5-3-2-4-10(12)7-14-11-6-13(18)15-8-11/h2-5,11,14H,6-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide?
N-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide has a molecular weight of 247.30 g/mol, XLogP of 0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(5-oxopyrrolidin-3-yl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 114155218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).