N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,5-dimethylpyrrole-2-carboxamide

C17H21N3O3 — CID 32944708

IUPACN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)n1C
InChIInChI=1S/C17H21N3O3/c1-12-5-10-15(20(12)4)17(22)18-13-6-8-14(9-7-13)23-11-16(21)19(2)3/h5-10H,11H2,1-4H3,(H,18,22)
InChIKeyNSERJBRYECHENP-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.05
Rot. Bonds5

About N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,5-dimethylpyrrole-2-carboxamide

N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 32944708) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,5-dimethylpyrrole-2-carboxamide
PubChem CID32944708
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)n1C
InChIInChI=1S/C17H21N3O3/c1-12-5-10-15(20(12)4)17(22)18-13-6-8-14(9-7-13)23-11-16(21)19(2)3/h5-10H,11H2,1-4H3,(H,18,22)
InChIKeyNSERJBRYECHENP-UHFFFAOYSA-N
XLogP2.05
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,5-dimethylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,5-dimethylpyrrole-2-carboxamide (CID 32944708) is N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,5-dimethylpyrrole-2-carboxamide is Cc1ccc(C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)n1C.
What is the InChIKey of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is NSERJBRYECHENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-5-10-15(20(12)4)17(22)18-13-6-8-14(9-7-13)23-11-16(21)19(2)3/h5-10H,11H2,1-4H3,(H,18,22).
What are the key properties of N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,5-dimethylpyrrole-2-carboxamide?
N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 32944708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).