N-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-3-carboxamide

C14H27N3O2 — CID 119841324

IUPACN-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-3-carboxamide
SMILESCC(C)C(CNC(=O)C1CCNC1)N1CCOCC1
InChIInChI=1S/C14H27N3O2/c1-11(2)13(17-5-7-19-8-6-17)10-16-14(18)12-3-4-15-9-12/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyDZUISECXUZSBFY-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.07
Rot. Bonds5

About N-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-3-carboxamide

N-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-3-carboxamide (PubChem CID 119841324) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-3-carboxamide
PubChem CID119841324
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-3-carboxamide
SMILESCC(C)C(CNC(=O)C1CCNC1)N1CCOCC1
InChIInChI=1S/C14H27N3O2/c1-11(2)13(17-5-7-19-8-6-17)10-16-14(18)12-3-4-15-9-12/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyDZUISECXUZSBFY-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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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-3-carboxamide (CID 119841324) is N-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-3-carboxamide is CC(C)C(CNC(=O)C1CCNC1)N1CCOCC1.
What is the InChIKey of N-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-3-carboxamide?
The InChIKey is DZUISECXUZSBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-11(2)13(17-5-7-19-8-6-17)10-16-14(18)12-3-4-15-9-12/h11-13,15H,3-10H2,1-2H3,(H,16,18).
What are the key properties of N-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-3-carboxamide?
N-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-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-(3-methyl-2-morpholin-4-ylbutyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 119841324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).