N-[(3-methylphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide

C22H28N2O2 — CID 44579776

IUPACN-[(3-methylphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCc1cccc(CN(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2)c1
InChIInChI=1S/C22H28N2O2/c1-17-8-6-9-19(14-17)15-24(16-20-10-7-13-23-20)22(25)18(2)26-21-11-4-3-5-12-21/h3-6,8-9,11-12,14,18,20,23H,7,10,13,15-16H2,1-2H3/t18?,20-/m1/s1
InChIKeyDLXCZGQIVQQTOM-ROPPNANJSA-N
MW352.48 g/mol
LogP3.54
Rot. Bonds7

About N-[(3-methylphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide

N-[(3-methylphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (PubChem CID 44579776) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
PubChem CID44579776
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-[(3-methylphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
SMILESCc1cccc(CN(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2)c1
InChIInChI=1S/C22H28N2O2/c1-17-8-6-9-19(14-17)15-24(16-20-10-7-13-23-20)22(25)18(2)26-21-11-4-3-5-12-21/h3-6,8-9,11-12,14,18,20,23H,7,10,13,15-16H2,1-2H3/t18?,20-/m1/s1
InChIKeyDLXCZGQIVQQTOM-ROPPNANJSA-N
XLogP3.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide (CID 44579776) is N-[(3-methylphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is Cc1cccc(CN(C[C@H]2CCCN2)C(=O)C(C)Oc2ccccc2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
The InChIKey is DLXCZGQIVQQTOM-ROPPNANJSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-17-8-6-9-19(14-17)15-24(16-20-10-7-13-23-20)22(25)18(2)26-21-11-4-3-5-12-21/h3-6,8-9,11-12,14,18,20,23H,7,10,13,15-16H2,1-2H3/t18?,20-/m1/s1.
What are the key properties of N-[(3-methylphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide?
N-[(3-methylphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide has a molecular weight of 352.48 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-phenoxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 44579776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).