N-[(2-tert-butyloxolan-3-yl)methyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide

C18H35N3O2 — CID 71978397

IUPACN-[(2-tert-butyloxolan-3-yl)methyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
SMILESCCN(C)CC1CCN(C(=O)NCC2CCOC2C(C)(C)C)C1
InChIInChI=1S/C18H35N3O2/c1-6-20(5)12-14-7-9-21(13-14)17(22)19-11-15-8-10-23-16(15)18(2,3)4/h14-16H,6-13H2,1-5H3,(H,19,22)
InChIKeyKDSVBLCIQRTORT-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.42
Rot. Bonds5

About N-[(2-tert-butyloxolan-3-yl)methyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide

N-[(2-tert-butyloxolan-3-yl)methyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide (PubChem CID 71978397) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is N-[(2-tert-butyloxolan-3-yl)methyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-tert-butyloxolan-3-yl)methyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
PubChem CID71978397
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC NameN-[(2-tert-butyloxolan-3-yl)methyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide
SMILESCCN(C)CC1CCN(C(=O)NCC2CCOC2C(C)(C)C)C1
InChIInChI=1S/C18H35N3O2/c1-6-20(5)12-14-7-9-21(13-14)17(22)19-11-15-8-10-23-16(15)18(2,3)4/h14-16H,6-13H2,1-5H3,(H,19,22)
InChIKeyKDSVBLCIQRTORT-UHFFFAOYSA-N
XLogP2.42
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyloxolan-3-yl)methyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(2-tert-butyloxolan-3-yl)methyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide (CID 71978397) is N-[(2-tert-butyloxolan-3-yl)methyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2-tert-butyloxolan-3-yl)methyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2-tert-butyloxolan-3-yl)methyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide is CCN(C)CC1CCN(C(=O)NCC2CCOC2C(C)(C)C)C1.
What is the InChIKey of N-[(2-tert-butyloxolan-3-yl)methyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide?
The InChIKey is KDSVBLCIQRTORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-6-20(5)12-14-7-9-21(13-14)17(22)19-11-15-8-10-23-16(15)18(2,3)4/h14-16H,6-13H2,1-5H3,(H,19,22).
What are the key properties of N-[(2-tert-butyloxolan-3-yl)methyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide?
N-[(2-tert-butyloxolan-3-yl)methyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide has a molecular weight of 325.50 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyloxolan-3-yl)methyl]-3-[[ethyl(methyl)amino]methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71978397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).