N-(2-methylpropyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide

C21H26N2O2 — CID 11566266

IUPACN-(2-methylpropyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCC(C)CN(C(=O)c1ccccc1Oc1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C21H26N2O2/c1-16(2)15-23(17-12-13-22-14-17)21(24)19-10-6-7-11-20(19)25-18-8-4-3-5-9-18/h3-11,16-17,22H,12-15H2,1-2H3/t17-/m0/s1
InChIKeyHPPVWRRONLIBLV-KRWDZBQOSA-N
MW338.45 g/mol
LogP3.94
Rot. Bonds6

About N-(2-methylpropyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide

N-(2-methylpropyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 11566266) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID11566266
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-(2-methylpropyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCC(C)CN(C(=O)c1ccccc1Oc1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C21H26N2O2/c1-16(2)15-23(17-12-13-22-14-17)21(24)19-10-6-7-11-20(19)25-18-8-4-3-5-9-18/h3-11,16-17,22H,12-15H2,1-2H3/t17-/m0/s1
InChIKeyHPPVWRRONLIBLV-KRWDZBQOSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of N-(2-methylpropyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 11566266) is N-(2-methylpropyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-(2-methylpropyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide is CC(C)CN(C(=O)c1ccccc1Oc1ccccc1)[C@H]1CCNC1.
What is the InChIKey of N-(2-methylpropyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is HPPVWRRONLIBLV-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(2)15-23(17-12-13-22-14-17)21(24)19-10-6-7-11-20(19)25-18-8-4-3-5-9-18/h3-11,16-17,22H,12-15H2,1-2H3/t17-/m0/s1.
What are the key properties of N-(2-methylpropyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide?
N-(2-methylpropyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 338.45 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-phenoxy-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 11566266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).