N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide

C14H27N3O2 — CID 106979565

IUPACN-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NCCN2CCOCC2)CCNC1
InChIInChI=1S/C14H27N3O2/c1-12(2)14(3-4-15-11-14)13(18)16-5-6-17-7-9-19-10-8-17/h12,15H,3-11H2,1-2H3,(H,16,18)
InChIKeyXSGCSSCSACWTNF-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.07
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide

N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106979565) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106979565
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)C1(C(=O)NCCN2CCOCC2)CCNC1
InChIInChI=1S/C14H27N3O2/c1-12(2)14(3-4-15-11-14)13(18)16-5-6-17-7-9-19-10-8-17/h12,15H,3-11H2,1-2H3,(H,16,18)
InChIKeyXSGCSSCSACWTNF-UHFFFAOYSA-N
XLogP0.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-morpholin-4-yl-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106981151
N-[2-[methyl(propan-2-yl)amino]ethyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980592
4-[(3-propan-2-ylpyrrolidine-3-carbonyl)amino]oxane-4-carboxylic acid
CID 106981085
N-(5-amino-5-oxopentyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 114162039
N-[(1-methylpiperidin-4-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980499
1-N'-butan-2-yl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108971375
1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095713
N-[3-[methyl(propan-2-yl)amino]propyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106047817
N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63141304
N-(2-morpholin-4-ylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120937758
3-propan-2-ylpyrrolidine-3-carbohydrazide
CID 106980734
N-(2-cyanopropyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980594

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide (CID 106979565) is N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide is CC(C)C1(C(=O)NCCN2CCOCC2)CCNC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is XSGCSSCSACWTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-12(2)14(3-4-15-11-14)13(18)16-5-6-17-7-9-19-10-8-17/h12,15H,3-11H2,1-2H3,(H,16,18).
What are the key properties of N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide?
N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106979565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).