3-hydroxy-N-morpholin-4-yl-2-(2-phenylpropanoylamino)propanamide

C16H23N3O4 — CID 4253359

IUPAC3-hydroxy-N-morpholin-4-yl-2-(2-phenylpropanoylamino)propanamide
SMILESCC(C(=O)NC(CO)C(=O)NN1CCOCC1)c1ccccc1
InChIInChI=1S/C16H23N3O4/c1-12(13-5-3-2-4-6-13)15(21)17-14(11-20)16(22)18-19-7-9-23-10-8-19/h2-6,12,14,20H,7-11H2,1H3,(H,17,21)(H,18,22)
InChIKeyYSVNYWDRVMSHGZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.37
Rot. Bonds6

About 3-hydroxy-N-morpholin-4-yl-2-(2-phenylpropanoylamino)propanamide

3-hydroxy-N-morpholin-4-yl-2-(2-phenylpropanoylamino)propanamide (PubChem CID 4253359) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-hydroxy-N-morpholin-4-yl-2-(2-phenylpropanoylamino)propanamide.

Molecular Properties

Compound Name3-hydroxy-N-morpholin-4-yl-2-(2-phenylpropanoylamino)propanamide
PubChem CID4253359
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Name3-hydroxy-N-morpholin-4-yl-2-(2-phenylpropanoylamino)propanamide
SMILESCC(C(=O)NC(CO)C(=O)NN1CCOCC1)c1ccccc1
InChIInChI=1S/C16H23N3O4/c1-12(13-5-3-2-4-6-13)15(21)17-14(11-20)16(22)18-19-7-9-23-10-8-19/h2-6,12,14,20H,7-11H2,1H3,(H,17,21)(H,18,22)
InChIKeyYSVNYWDRVMSHGZ-UHFFFAOYSA-N
XLogP-0.37
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-morpholin-4-yl-2-(2-phenylpropanoylamino)propanamide?
The IUPAC name of 3-hydroxy-N-morpholin-4-yl-2-(2-phenylpropanoylamino)propanamide (CID 4253359) is 3-hydroxy-N-morpholin-4-yl-2-(2-phenylpropanoylamino)propanamide.
What is the SMILES notation for 3-hydroxy-N-morpholin-4-yl-2-(2-phenylpropanoylamino)propanamide?
The canonical SMILES for 3-hydroxy-N-morpholin-4-yl-2-(2-phenylpropanoylamino)propanamide is CC(C(=O)NC(CO)C(=O)NN1CCOCC1)c1ccccc1.
What is the InChIKey of 3-hydroxy-N-morpholin-4-yl-2-(2-phenylpropanoylamino)propanamide?
The InChIKey is YSVNYWDRVMSHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-12(13-5-3-2-4-6-13)15(21)17-14(11-20)16(22)18-19-7-9-23-10-8-19/h2-6,12,14,20H,7-11H2,1H3,(H,17,21)(H,18,22).
What are the key properties of 3-hydroxy-N-morpholin-4-yl-2-(2-phenylpropanoylamino)propanamide?
3-hydroxy-N-morpholin-4-yl-2-(2-phenylpropanoylamino)propanamide has a molecular weight of 321.38 g/mol, XLogP of -0.37, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-morpholin-4-yl-2-(2-phenylpropanoylamino)propanamide is sourced from PubChem (CID 4253359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).