2-(3-morpholin-4-ylpropylamino)-N-(4-phenylbutan-2-yl)acetamide

C19H31N3O2 — CID 5021514

IUPAC2-(3-morpholin-4-ylpropylamino)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CNCCCN1CCOCC1
InChIInChI=1S/C19H31N3O2/c1-17(8-9-18-6-3-2-4-7-18)21-19(23)16-20-10-5-11-22-12-14-24-15-13-22/h2-4,6-7,17,20H,5,8-16H2,1H3,(H,21,23)
InChIKeyJTYWCPJMOYXGKD-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.44
Rot. Bonds10

About 2-(3-morpholin-4-ylpropylamino)-N-(4-phenylbutan-2-yl)acetamide

2-(3-morpholin-4-ylpropylamino)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 5021514) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-(3-morpholin-4-ylpropylamino)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-morpholin-4-ylpropylamino)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID5021514
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name2-(3-morpholin-4-ylpropylamino)-N-(4-phenylbutan-2-yl)acetamide
SMILESCC(CCc1ccccc1)NC(=O)CNCCCN1CCOCC1
InChIInChI=1S/C19H31N3O2/c1-17(8-9-18-6-3-2-4-7-18)21-19(23)16-20-10-5-11-22-12-14-24-15-13-22/h2-4,6-7,17,20H,5,8-16H2,1H3,(H,21,23)
InChIKeyJTYWCPJMOYXGKD-UHFFFAOYSA-N
XLogP1.44
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-morpholin-4-ylpropylamino)-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(3-morpholin-4-ylpropylamino)-N-(4-phenylbutan-2-yl)acetamide (CID 5021514) is 2-(3-morpholin-4-ylpropylamino)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(3-morpholin-4-ylpropylamino)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(3-morpholin-4-ylpropylamino)-N-(4-phenylbutan-2-yl)acetamide is CC(CCc1ccccc1)NC(=O)CNCCCN1CCOCC1.
What is the InChIKey of 2-(3-morpholin-4-ylpropylamino)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is JTYWCPJMOYXGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-17(8-9-18-6-3-2-4-7-18)21-19(23)16-20-10-5-11-22-12-14-24-15-13-22/h2-4,6-7,17,20H,5,8-16H2,1H3,(H,21,23).
What are the key properties of 2-(3-morpholin-4-ylpropylamino)-N-(4-phenylbutan-2-yl)acetamide?
2-(3-morpholin-4-ylpropylamino)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 333.48 g/mol, XLogP of 1.44, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-morpholin-4-ylpropylamino)-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 5021514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).