3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide

C16H25N3O2 — CID 119878448

IUPAC3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1cccc(C(C)N2CCOCC2)c1
InChIInChI=1S/C16H25N3O2/c1-12(17)10-16(20)18-15-5-3-4-14(11-15)13(2)19-6-8-21-9-7-19/h3-5,11-13H,6-10,17H2,1-2H3,(H,18,20)
InChIKeyUKXRRKKFYGMNCV-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.76
Rot. Bonds5

About 3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide

3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide (PubChem CID 119878448) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide
PubChem CID119878448
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide
SMILESCC(N)CC(=O)Nc1cccc(C(C)N2CCOCC2)c1
InChIInChI=1S/C16H25N3O2/c1-12(17)10-16(20)18-15-5-3-4-14(11-15)13(2)19-6-8-21-9-7-19/h3-5,11-13H,6-10,17H2,1-2H3,(H,18,20)
InChIKeyUKXRRKKFYGMNCV-UHFFFAOYSA-N
XLogP1.76
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide?
The IUPAC name of 3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide (CID 119878448) is 3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide.
What is the SMILES notation for 3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide?
The canonical SMILES for 3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide is CC(N)CC(=O)Nc1cccc(C(C)N2CCOCC2)c1.
What is the InChIKey of 3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide?
The InChIKey is UKXRRKKFYGMNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(17)10-16(20)18-15-5-3-4-14(11-15)13(2)19-6-8-21-9-7-19/h3-5,11-13H,6-10,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide?
3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide has a molecular weight of 291.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide is sourced from PubChem (CID 119878448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).