2-propan-2-yl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide

C17H26N2O — CID 45271864

IUPAC2-propan-2-yl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCCCN(C(=O)c1ccccc1C(C)C)[C@H]1CCNC1
InChIInChI=1S/C17H26N2O/c1-4-11-19(14-9-10-18-12-14)17(20)16-8-6-5-7-15(16)13(2)3/h5-8,13-14,18H,4,9-12H2,1-3H3/t14-/m0/s1
InChIKeyPJZPOQITFNSOGK-AWEZNQCLSA-N
MW274.41 g/mol
LogP3.02
Rot. Bonds5

About 2-propan-2-yl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide

2-propan-2-yl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide (PubChem CID 45271864) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-propan-2-yl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name2-propan-2-yl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide
PubChem CID45271864
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-propan-2-yl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide
SMILESCCCN(C(=O)c1ccccc1C(C)C)[C@H]1CCNC1
InChIInChI=1S/C17H26N2O/c1-4-11-19(14-9-10-18-12-14)17(20)16-8-6-5-7-15(16)13(2)3/h5-8,13-14,18H,4,9-12H2,1-3H3/t14-/m0/s1
InChIKeyPJZPOQITFNSOGK-AWEZNQCLSA-N
XLogP3.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The IUPAC name of 2-propan-2-yl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide (CID 45271864) is 2-propan-2-yl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 2-propan-2-yl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The canonical SMILES for 2-propan-2-yl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide is CCCN(C(=O)c1ccccc1C(C)C)[C@H]1CCNC1.
What is the InChIKey of 2-propan-2-yl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
The InChIKey is PJZPOQITFNSOGK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-11-19(14-9-10-18-12-14)17(20)16-8-6-5-7-15(16)13(2)3/h5-8,13-14,18H,4,9-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-propan-2-yl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide?
2-propan-2-yl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide has a molecular weight of 274.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 45271864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).