N-methyl-2-[(2-phenoxyacetyl)amino]-N-pyrrolidin-3-ylacetamide

C15H21N3O3 — CID 119553064

IUPACN-methyl-2-[(2-phenoxyacetyl)amino]-N-pyrrolidin-3-ylacetamide
SMILESCN(C(=O)CNC(=O)COc1ccccc1)C1CCNC1
InChIInChI=1S/C15H21N3O3/c1-18(12-7-8-16-9-12)15(20)10-17-14(19)11-21-13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3,(H,17,19)
InChIKeyQSIIASWMGSIYHE-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.00
Rot. Bonds6

About N-methyl-2-[(2-phenoxyacetyl)amino]-N-pyrrolidin-3-ylacetamide

N-methyl-2-[(2-phenoxyacetyl)amino]-N-pyrrolidin-3-ylacetamide (PubChem CID 119553064) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-methyl-2-[(2-phenoxyacetyl)amino]-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-methyl-2-[(2-phenoxyacetyl)amino]-N-pyrrolidin-3-ylacetamide
PubChem CID119553064
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-methyl-2-[(2-phenoxyacetyl)amino]-N-pyrrolidin-3-ylacetamide
SMILESCN(C(=O)CNC(=O)COc1ccccc1)C1CCNC1
InChIInChI=1S/C15H21N3O3/c1-18(12-7-8-16-9-12)15(20)10-17-14(19)11-21-13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3,(H,17,19)
InChIKeyQSIIASWMGSIYHE-UHFFFAOYSA-N
XLogP0.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119550503
N-[2-[methyl(piperidin-3-yl)amino]-2-oxoethyl]benzamide
CID 60807055
N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]butanamide;hydrochloride
CID 119553258
N-methyl-2-phenylmethoxy-N-pyrrolidin-3-ylacetamide
CID 119552002
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
2-(2-methoxyphenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 94803435
N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 119553083
N-methyl-N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47163246
N-(1,1-dioxothiolan-3-yl)-N-methyl-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112993811
3-cyclopentyl-N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]propanamide
CID 119550902
2-(4-iodophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119443551
N-[2-[azetidin-3-yl(methyl)amino]-2-oxoethyl]benzamide
CID 66185921

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2-phenoxyacetyl)amino]-N-pyrrolidin-3-ylacetamide?
The IUPAC name of N-methyl-2-[(2-phenoxyacetyl)amino]-N-pyrrolidin-3-ylacetamide (CID 119553064) is N-methyl-2-[(2-phenoxyacetyl)amino]-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-methyl-2-[(2-phenoxyacetyl)amino]-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-methyl-2-[(2-phenoxyacetyl)amino]-N-pyrrolidin-3-ylacetamide is CN(C(=O)CNC(=O)COc1ccccc1)C1CCNC1.
What is the InChIKey of N-methyl-2-[(2-phenoxyacetyl)amino]-N-pyrrolidin-3-ylacetamide?
The InChIKey is QSIIASWMGSIYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-18(12-7-8-16-9-12)15(20)10-17-14(19)11-21-13-5-3-2-4-6-13/h2-6,12,16H,7-11H2,1H3,(H,17,19).
What are the key properties of N-methyl-2-[(2-phenoxyacetyl)amino]-N-pyrrolidin-3-ylacetamide?
N-methyl-2-[(2-phenoxyacetyl)amino]-N-pyrrolidin-3-ylacetamide has a molecular weight of 291.35 g/mol, XLogP of 0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2-phenoxyacetyl)amino]-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119553064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).