N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpyrrolidine-2-carboxamide

C16H25N3O2 — CID 102778343

IUPACN-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-12-8-9-17-15(12)16(20)18-13-4-6-14(7-5-13)21-11-10-19(2)3/h4-7,12,15,17H,8-11H2,1-3H3,(H,18,20)
InChIKeyXQIUPMWWASXZKW-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.56
Rot. Bonds6

About N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpyrrolidine-2-carboxamide

N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpyrrolidine-2-carboxamide (PubChem CID 102778343) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpyrrolidine-2-carboxamide
PubChem CID102778343
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpyrrolidine-2-carboxamide
SMILESCC1CCNC1C(=O)Nc1ccc(OCCN(C)C)cc1
InChIInChI=1S/C16H25N3O2/c1-12-8-9-17-15(12)16(20)18-13-4-6-14(7-5-13)21-11-10-19(2)3/h4-7,12,15,17H,8-11H2,1-3H3,(H,18,20)
InChIKeyXQIUPMWWASXZKW-UHFFFAOYSA-N
XLogP1.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[4-[2-(dimethylamino)ethoxy]phenyl]piperidine-2-carboxamide
CID 103813549
N-[4-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119844260
3-methyl-N-[4-(propanoylamino)phenyl]pyrrolidine-2-carboxamide
CID 102778022
N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpyrrolidine-2-carboxamide
CID 102777809
4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]cyclopent-2-ene-1-carboxamide
CID 79209286
2-methyl-2-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]propanoic acid
CID 102779763
3-(cyclopropylamino)-N-[4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 60928327
1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 87006886
3-methyl-N-[4-(methylsulfamoyl)phenyl]pyrrolidine-2-carboxamide
CID 102778116
3-[4-[(3-methylpyrrolidine-2-carbonyl)amino]phenyl]butanoic acid
CID 102780012
(2R,3S)-N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120925642
4-[2-(dimethylamino)ethoxy]-N-(2-methylcyclopentyl)aniline
CID 65046094

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpyrrolidine-2-carboxamide (CID 102778343) is N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpyrrolidine-2-carboxamide is CC1CCNC1C(=O)Nc1ccc(OCCN(C)C)cc1.
What is the InChIKey of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpyrrolidine-2-carboxamide?
The InChIKey is XQIUPMWWASXZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-8-9-17-15(12)16(20)18-13-4-6-14(7-5-13)21-11-10-19(2)3/h4-7,12,15,17H,8-11H2,1-3H3,(H,18,20).
What are the key properties of N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpyrrolidine-2-carboxamide?
N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpyrrolidine-2-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(dimethylamino)ethoxy]phenyl]-3-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 102778343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).