2-(2,2-dimethylpropyl)-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxamide

C23H35N3O3 — CID 86886423

IUPAC2-(2,2-dimethylpropyl)-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)CC1CCCN1C(=O)NCC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C23H35N3O3/c1-23(2,3)16-19-10-7-11-26(19)22(28)24-17-20(18-8-5-4-6-9-18)21(27)25-12-14-29-15-13-25/h4-6,8-9,19-20H,7,10-17H2,1-3H3,(H,24,28)
InChIKeyQRBFFAOPEDCQDM-UHFFFAOYSA-N
MW401.55 g/mol
LogP3.24
Rot. Bonds5

About 2-(2,2-dimethylpropyl)-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxamide

2-(2,2-dimethylpropyl)-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxamide (PubChem CID 86886423) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxamide
PubChem CID86886423
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name2-(2,2-dimethylpropyl)-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)(C)CC1CCCN1C(=O)NCC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C23H35N3O3/c1-23(2,3)16-19-10-7-11-26(19)22(28)24-17-20(18-8-5-4-6-9-18)21(27)25-12-14-29-15-13-25/h4-6,8-9,19-20H,7,10-17H2,1-3H3,(H,24,28)
InChIKeyQRBFFAOPEDCQDM-UHFFFAOYSA-N
XLogP3.24
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2,2-dimethylpropyl)-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxamide (CID 86886423) is 2-(2,2-dimethylpropyl)-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2,2-dimethylpropyl)-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxamide is CC(C)(C)CC1CCCN1C(=O)NCC(C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is QRBFFAOPEDCQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-23(2,3)16-19-10-7-11-26(19)22(28)24-17-20(18-8-5-4-6-9-18)21(27)25-12-14-29-15-13-25/h4-6,8-9,19-20H,7,10-17H2,1-3H3,(H,24,28).
What are the key properties of 2-(2,2-dimethylpropyl)-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxamide?
2-(2,2-dimethylpropyl)-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 401.55 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 86886423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).