N-(3-morpholin-4-ylpropyl)-4-phenyloxane-4-carboxamide

C19H28N2O3 — CID 662833

IUPACN-(3-morpholin-4-ylpropyl)-4-phenyloxane-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H28N2O3/c22-18(20-9-4-10-21-11-15-24-16-12-21)19(7-13-23-14-8-19)17-5-2-1-3-6-17/h1-3,5-6H,4,7-16H2,(H,20,22)
InChIKeyPVZXCUIJCQVKLT-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.57
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-4-phenyloxane-4-carboxamide

N-(3-morpholin-4-ylpropyl)-4-phenyloxane-4-carboxamide (PubChem CID 662833) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4-phenyloxane-4-carboxamide
PubChem CID662833
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(3-morpholin-4-ylpropyl)-4-phenyloxane-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C19H28N2O3/c22-18(20-9-4-10-21-11-15-24-16-12-21)19(7-13-23-14-8-19)17-5-2-1-3-6-17/h1-3,5-6H,4,7-16H2,(H,20,22)
InChIKeyPVZXCUIJCQVKLT-UHFFFAOYSA-N
XLogP1.57
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(morpholin-4-yl)propyl]-2,2-diphenylacetamide
CID 2166461
(4-Phenyl-tetrahydro-pyran-4-yl)-piperidin-1-yl-methanone
CID 649168
N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 885902
(R)-3-Amino-1-((R)-3-benzyl-morpholin-4-yl)-4-(2-fluoro-phenyl)-butan-1-one
CID 10183667
N-{2-[2-(diethylamino)ethoxy]ethyl}-1-phenylcyclopentane-1-carboxamide
CID 15105207
N-(2-morpholin-4-ylethyl)-2-(4-phenylphenyl)acetamide
CID 649839
4-(2,2-Diphenylpropanoyl)morpholine
CID 889990
4-phenyl-N-(1-phenylpropan-2-yl)oxane-4-carboxamide
CID 2900568
CID 2948165
CID 2948165
N-(3-morpholin-4-ylpropyl)-1-phenylcyclopentane-1-carboxamide
CID 1826015
N-(2-morpholinoethyl)-2-phenylacetamide
CID 693082
N-(3-morpholin-4-ylpropyl)-4-phenylbutanamide
CID 2906693

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4-phenyloxane-4-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4-phenyloxane-4-carboxamide (CID 662833) is N-(3-morpholin-4-ylpropyl)-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4-phenyloxane-4-carboxamide is O=C(NCCCN1CCOCC1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4-phenyloxane-4-carboxamide?
The InChIKey is PVZXCUIJCQVKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c22-18(20-9-4-10-21-11-15-24-16-12-21)19(7-13-23-14-8-19)17-5-2-1-3-6-17/h1-3,5-6H,4,7-16H2,(H,20,22).
What are the key properties of N-(3-morpholin-4-ylpropyl)-4-phenyloxane-4-carboxamide?
N-(3-morpholin-4-ylpropyl)-4-phenyloxane-4-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 662833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).