N-[1-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]-1-oxopropan-2-yl]cyclobutanecarboxamide

C17H31N3O3 — CID 71856477

IUPACN-[1-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESCC(NC(=O)C1CCC1)C(=O)NC(CN1CCOCC1)C(C)C
InChIInChI=1S/C17H31N3O3/c1-12(2)15(11-20-7-9-23-10-8-20)19-16(21)13(3)18-17(22)14-5-4-6-14/h12-15H,4-11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyGGBZMUUVHXTYTF-UHFFFAOYSA-N
MW325.45 g/mol
LogP0.76
Rot. Bonds7

About N-[1-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]-1-oxopropan-2-yl]cyclobutanecarboxamide

N-[1-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]-1-oxopropan-2-yl]cyclobutanecarboxamide (PubChem CID 71856477) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-[1-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]-1-oxopropan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
PubChem CID71856477
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC NameN-[1-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]-1-oxopropan-2-yl]cyclobutanecarboxamide
SMILESCC(NC(=O)C1CCC1)C(=O)NC(CN1CCOCC1)C(C)C
InChIInChI=1S/C17H31N3O3/c1-12(2)15(11-20-7-9-23-10-8-20)19-16(21)13(3)18-17(22)14-5-4-6-14/h12-15H,4-11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyGGBZMUUVHXTYTF-UHFFFAOYSA-N
XLogP0.76
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]-1-oxopropan-2-yl]cyclobutanecarboxamide (CID 71856477) is N-[1-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]-1-oxopropan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]-1-oxopropan-2-yl]cyclobutanecarboxamide is CC(NC(=O)C1CCC1)C(=O)NC(CN1CCOCC1)C(C)C.
What is the InChIKey of N-[1-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
The InChIKey is GGBZMUUVHXTYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c1-12(2)15(11-20-7-9-23-10-8-20)19-16(21)13(3)18-17(22)14-5-4-6-14/h12-15H,4-11H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of N-[1-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]-1-oxopropan-2-yl]cyclobutanecarboxamide?
N-[1-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]-1-oxopropan-2-yl]cyclobutanecarboxamide has a molecular weight of 325.45 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methyl-1-morpholin-4-ylbutan-2-yl)amino]-1-oxopropan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 71856477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).