N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide

C17H30N4O2 — CID 84595027

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
SMILESCc1n[nH]c(C)c1C(C)CC(=O)NCCN1CC(C)OC(C)C1
InChIInChI=1S/C17H30N4O2/c1-11(17-14(4)19-20-15(17)5)8-16(22)18-6-7-21-9-12(2)23-13(3)10-21/h11-13H,6-10H2,1-5H3,(H,18,22)(H,19,20)
InChIKeyGVVNUXXDSIPYGM-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.75
Rot. Bonds6

About N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide

N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide (PubChem CID 84595027) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
PubChem CID84595027
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
SMILESCc1n[nH]c(C)c1C(C)CC(=O)NCCN1CC(C)OC(C)C1
InChIInChI=1S/C17H30N4O2/c1-11(17-14(4)19-20-15(17)5)8-16(22)18-6-7-21-9-12(2)23-13(3)10-21/h11-13H,6-10H2,1-5H3,(H,18,22)(H,19,20)
InChIKeyGVVNUXXDSIPYGM-UHFFFAOYSA-N
XLogP1.75
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide (CID 84595027) is N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide is Cc1n[nH]c(C)c1C(C)CC(=O)NCCN1CC(C)OC(C)C1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
The InChIKey is GVVNUXXDSIPYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-11(17-14(4)19-20-15(17)5)8-16(22)18-6-7-21-9-12(2)23-13(3)10-21/h11-13H,6-10H2,1-5H3,(H,18,22)(H,19,20).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide has a molecular weight of 322.45 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 84595027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).