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

C16H25N3O2 — CID 63715447

IUPACN-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)Nc1cccc(OCCN(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-12-10-17-11-15(12)16(20)18-13-5-4-6-14(9-13)21-8-7-19(2)3/h4-6,9,12,15,17H,7-8,10-11H2,1-3H3,(H,18,20)
InChIKeyVRTHDSZUKYCWKT-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.42
Rot. Bonds6

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

N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methylpyrrolidine-3-carboxamide (PubChem CID 63715447) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methylpyrrolidine-3-carboxamide
PubChem CID63715447
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methylpyrrolidine-3-carboxamide
SMILESCC1CNCC1C(=O)Nc1cccc(OCCN(C)C)c1
InChIInChI=1S/C16H25N3O2/c1-12-10-17-11-15(12)16(20)18-13-5-4-6-14(9-13)21-8-7-19(2)3/h4-6,9,12,15,17H,7-8,10-11H2,1-3H3,(H,18,20)
InChIKeyVRTHDSZUKYCWKT-UHFFFAOYSA-N
XLogP1.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(dimethylamino)ethoxy]phenyl]pyrrolidine-3-carboxamide
CID 63005560
2-(azetidin-3-yl)-N-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
CID 64618376
N-[3-[3-(dimethylamino)propoxy]phenyl]pyrrolidine-3-carboxamide
CID 119885879
N-[3-[3-(dimethylamino)propoxy]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119885790
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2,2-dimethylpropanamide
CID 60776296
N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpyrrolidine-3-carboxamide
CID 63716135
N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 60776294
1-amino-N-[3-[2-(dimethylamino)ethoxy]phenyl]cyclopropane-1-carboxamide
CID 65464434
N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methoxypiperidine-4-carboxamide
CID 119844483
N-[3-[3-(dimethylamino)propoxy]phenyl]acetamide
CID 71811695
N,4-dimethyl-N-(2-phenoxyethyl)pyrrolidine-3-carboxamide
CID 63714789
(E)-3-[3-[(4-methylpyrrolidine-3-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115339670

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methylpyrrolidine-3-carboxamide?
The IUPAC name of N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methylpyrrolidine-3-carboxamide (CID 63715447) is N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methylpyrrolidine-3-carboxamide is CC1CNCC1C(=O)Nc1cccc(OCCN(C)C)c1.
What is the InChIKey of N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methylpyrrolidine-3-carboxamide?
The InChIKey is VRTHDSZUKYCWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-10-17-11-15(12)16(20)18-13-5-4-6-14(9-13)21-8-7-19(2)3/h4-6,9,12,15,17H,7-8,10-11H2,1-3H3,(H,18,20).
What are the key properties of N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methylpyrrolidine-3-carboxamide?
N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methylpyrrolidine-3-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63715447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).