(2R)-2-amino-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]propanamide

C16H25N3O2 — CID 119897847

IUPAC(2R)-2-amino-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]propanamide
SMILESCC1CCN(CCOc2ccc(NC(=O)[C@@H](C)N)cc2)C1
InChIInChI=1S/C16H25N3O2/c1-12-7-8-19(11-12)9-10-21-15-5-3-14(4-6-15)18-16(20)13(2)17/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20)/t12?,13-/m1/s1
InChIKeyVGFMCADQFXRJKH-ZGTCLIOFSA-N
MW291.40 g/mol
LogP1.69
Rot. Bonds6

About (2R)-2-amino-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]propanamide

(2R)-2-amino-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]propanamide (PubChem CID 119897847) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]propanamide
PubChem CID119897847
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name(2R)-2-amino-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]propanamide
SMILESCC1CCN(CCOc2ccc(NC(=O)[C@@H](C)N)cc2)C1
InChIInChI=1S/C16H25N3O2/c1-12-7-8-19(11-12)9-10-21-15-5-3-14(4-6-15)18-16(20)13(2)17/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20)/t12?,13-/m1/s1
InChIKeyVGFMCADQFXRJKH-ZGTCLIOFSA-N
XLogP1.69
TPSA67.59 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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]propanamide?
The IUPAC name of (2R)-2-amino-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]propanamide (CID 119897847) is (2R)-2-amino-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]propanamide is CC1CCN(CCOc2ccc(NC(=O)[C@@H](C)N)cc2)C1.
What is the InChIKey of (2R)-2-amino-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]propanamide?
The InChIKey is VGFMCADQFXRJKH-ZGTCLIOFSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12-7-8-19(11-12)9-10-21-15-5-3-14(4-6-15)18-16(20)13(2)17/h3-6,12-13H,7-11,17H2,1-2H3,(H,18,20)/t12?,13-/m1/s1.
What are the key properties of (2R)-2-amino-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]propanamide?
(2R)-2-amino-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]propanamide has a molecular weight of 291.40 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-[2-(3-methylpyrrolidin-1-yl)ethoxy]phenyl]propanamide is sourced from PubChem (CID 119897847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).