3-(2-methylpropylamino)-4-morpholin-4-ylbutanamide

C12H25N3O2 — CID 67707624

IUPAC3-(2-methylpropylamino)-4-morpholin-4-ylbutanamide
SMILESCC(C)CNC(CC(N)=O)CN1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-10(2)8-14-11(7-12(13)16)9-15-3-5-17-6-4-15/h10-11,14H,3-9H2,1-2H3,(H2,13,16)
InChIKeyKZFMROQGVAMNGK-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.19
Rot. Bonds7

About 3-(2-methylpropylamino)-4-morpholin-4-ylbutanamide

3-(2-methylpropylamino)-4-morpholin-4-ylbutanamide (PubChem CID 67707624) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(2-methylpropylamino)-4-morpholin-4-ylbutanamide.

Molecular Properties

Compound Name3-(2-methylpropylamino)-4-morpholin-4-ylbutanamide
PubChem CID67707624
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-(2-methylpropylamino)-4-morpholin-4-ylbutanamide
SMILESCC(C)CNC(CC(N)=O)CN1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-10(2)8-14-11(7-12(13)16)9-15-3-5-17-6-4-15/h10-11,14H,3-9H2,1-2H3,(H2,13,16)
InChIKeyKZFMROQGVAMNGK-UHFFFAOYSA-N
XLogP-0.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropylamino)-4-morpholin-4-ylbutanamide?
The IUPAC name of 3-(2-methylpropylamino)-4-morpholin-4-ylbutanamide (CID 67707624) is 3-(2-methylpropylamino)-4-morpholin-4-ylbutanamide.
What is the SMILES notation for 3-(2-methylpropylamino)-4-morpholin-4-ylbutanamide?
The canonical SMILES for 3-(2-methylpropylamino)-4-morpholin-4-ylbutanamide is CC(C)CNC(CC(N)=O)CN1CCOCC1.
What is the InChIKey of 3-(2-methylpropylamino)-4-morpholin-4-ylbutanamide?
The InChIKey is KZFMROQGVAMNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(2)8-14-11(7-12(13)16)9-15-3-5-17-6-4-15/h10-11,14H,3-9H2,1-2H3,(H2,13,16).
What are the key properties of 3-(2-methylpropylamino)-4-morpholin-4-ylbutanamide?
3-(2-methylpropylamino)-4-morpholin-4-ylbutanamide has a molecular weight of 243.35 g/mol, XLogP of -0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropylamino)-4-morpholin-4-ylbutanamide is sourced from PubChem (CID 67707624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).