N-[2-[2-(methylamino)phenyl]ethyl]-N-[1-(2-oxoethoxy)piperidin-4-yl]formamide

C17H25N3O3 — CID 143112340

IUPACN-[2-[2-(methylamino)phenyl]ethyl]-N-[1-(2-oxoethoxy)piperidin-4-yl]formamide
SMILESCNc1ccccc1CCN(C=O)C1CCN(OCC=O)CC1
InChIInChI=1S/C17H25N3O3/c1-18-17-5-3-2-4-15(17)6-9-19(14-22)16-7-10-20(11-8-16)23-13-12-21/h2-5,12,14,16,18H,6-11,13H2,1H3
InChIKeyPRUZMDSKDXUVMN-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.32
Rot. Bonds9

About N-[2-[2-(methylamino)phenyl]ethyl]-N-[1-(2-oxoethoxy)piperidin-4-yl]formamide

N-[2-[2-(methylamino)phenyl]ethyl]-N-[1-(2-oxoethoxy)piperidin-4-yl]formamide (PubChem CID 143112340) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[2-[2-(methylamino)phenyl]ethyl]-N-[1-(2-oxoethoxy)piperidin-4-yl]formamide.

Molecular Properties

Compound NameN-[2-[2-(methylamino)phenyl]ethyl]-N-[1-(2-oxoethoxy)piperidin-4-yl]formamide
PubChem CID143112340
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC NameN-[2-[2-(methylamino)phenyl]ethyl]-N-[1-(2-oxoethoxy)piperidin-4-yl]formamide
SMILESCNc1ccccc1CCN(C=O)C1CCN(OCC=O)CC1
InChIInChI=1S/C17H25N3O3/c1-18-17-5-3-2-4-15(17)6-9-19(14-22)16-7-10-20(11-8-16)23-13-12-21/h2-5,12,14,16,18H,6-11,13H2,1H3
InChIKeyPRUZMDSKDXUVMN-UHFFFAOYSA-N
XLogP1.32
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylamino)phenyl]ethyl]-N-[1-(2-oxoethoxy)piperidin-4-yl]formamide?
The IUPAC name of N-[2-[2-(methylamino)phenyl]ethyl]-N-[1-(2-oxoethoxy)piperidin-4-yl]formamide (CID 143112340) is N-[2-[2-(methylamino)phenyl]ethyl]-N-[1-(2-oxoethoxy)piperidin-4-yl]formamide.
What is the SMILES notation for N-[2-[2-(methylamino)phenyl]ethyl]-N-[1-(2-oxoethoxy)piperidin-4-yl]formamide?
The canonical SMILES for N-[2-[2-(methylamino)phenyl]ethyl]-N-[1-(2-oxoethoxy)piperidin-4-yl]formamide is CNc1ccccc1CCN(C=O)C1CCN(OCC=O)CC1.
What is the InChIKey of N-[2-[2-(methylamino)phenyl]ethyl]-N-[1-(2-oxoethoxy)piperidin-4-yl]formamide?
The InChIKey is PRUZMDSKDXUVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-18-17-5-3-2-4-15(17)6-9-19(14-22)16-7-10-20(11-8-16)23-13-12-21/h2-5,12,14,16,18H,6-11,13H2,1H3.
What are the key properties of N-[2-[2-(methylamino)phenyl]ethyl]-N-[1-(2-oxoethoxy)piperidin-4-yl]formamide?
N-[2-[2-(methylamino)phenyl]ethyl]-N-[1-(2-oxoethoxy)piperidin-4-yl]formamide has a molecular weight of 319.40 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylamino)phenyl]ethyl]-N-[1-(2-oxoethoxy)piperidin-4-yl]formamide is sourced from PubChem (CID 143112340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).