N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide

C16H25N3O — CID 106979918

IUPACN-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2ccccc2N(C)C)CCNC1
InChIInChI=1S/C16H25N3O/c1-12(2)16(9-10-17-11-16)15(20)18-13-7-5-6-8-14(13)19(3)4/h5-8,12,17H,9-11H2,1-4H3,(H,18,20)
InChIKeyQDBRFJYPFONKLE-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.33
Rot. Bonds4

About N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide

N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106979918) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106979918
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)Nc2ccccc2N(C)C)CCNC1
InChIInChI=1S/C16H25N3O/c1-12(2)16(9-10-17-11-16)15(20)18-13-7-5-6-8-14(13)19(3)4/h5-8,12,17H,9-11H2,1-4H3,(H,18,20)
InChIKeyQDBRFJYPFONKLE-UHFFFAOYSA-N
XLogP2.33
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-hydroxyphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980755
3-propan-2-yl-N-(2-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 106980254
N-(2-ethylsulfanylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980005
N-[3-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981090
N-[2-(dimethylamino)phenyl]-3-ethylpiperidine-3-carboxamide
CID 63131246
N-(4-acetamidophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979608
N-(1-phenylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979455
N-(4-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979554
N-(2-chloro-5-fluorophenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 107528499
N-(2-chloro-4-methylphenyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979641
4-methyl-3-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106979941
4-bromo-2-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 106980315

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106979918) is N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)Nc2ccccc2N(C)C)CCNC1.
What is the InChIKey of N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is QDBRFJYPFONKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12(2)16(9-10-17-11-16)15(20)18-13-7-5-6-8-14(13)19(3)4/h5-8,12,17H,9-11H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide?
N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)phenyl]-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106979918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).