N-(3-iodophenyl)-4-morpholin-4-yl-4-oxobutanamide

C14H17IN2O3 — CID 47102072

IUPACN-(3-iodophenyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOCC1)Nc1cccc(I)c1
InChIInChI=1S/C14H17IN2O3/c15-11-2-1-3-12(10-11)16-13(18)4-5-14(19)17-6-8-20-9-7-17/h1-3,10H,4-9H2,(H,16,18)
InChIKeyLISQUPSZTMWWTB-UHFFFAOYSA-N
MW388.21 g/mol
LogP1.87
Rot. Bonds4

About N-(3-iodophenyl)-4-morpholin-4-yl-4-oxobutanamide

N-(3-iodophenyl)-4-morpholin-4-yl-4-oxobutanamide (PubChem CID 47102072) has the molecular formula C14H17IN2O3 and a molecular weight of 388.21 g/mol. Its IUPAC name is N-(3-iodophenyl)-4-morpholin-4-yl-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-4-morpholin-4-yl-4-oxobutanamide
PubChem CID47102072
Molecular FormulaC14H17IN2O3
Molecular Weight388.21 g/mol
Exact Mass388.03
IUPAC NameN-(3-iodophenyl)-4-morpholin-4-yl-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCOCC1)Nc1cccc(I)c1
InChIInChI=1S/C14H17IN2O3/c15-11-2-1-3-12(10-11)16-13(18)4-5-14(19)17-6-8-20-9-7-17/h1-3,10H,4-9H2,(H,16,18)
InChIKeyLISQUPSZTMWWTB-UHFFFAOYSA-N
XLogP1.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-morpholin-4-yl-4-oxo-N-phenylbutanamide
CID 9341047
N-(3,4-dichlorophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 6456922
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
CID 119465990
N-(3-chlorophenyl)-3-morpholin-4-yl-3-oxopropanamide
CID 108943524
4-morpholin-4-yl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbutanamide
CID 17476459
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide
CID 119422749
4-hydroxy-N-(3-iodophenyl)butanamide
CID 79204561
3-iodo-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 113352781
N-(2-aminophenyl)-4-morpholin-4-yl-4-oxobutanamide;hydrochloride
CID 119422748
N-[3-(morpholine-4-carbonylamino)phenyl]morpholine-4-carboxamide
CID 171576986
5-hydroxy-N-(3-iodophenyl)pentanamide
CID 79199444
3-(3-acetylanilino)-1-morpholin-4-ylpropan-1-one
CID 109015750

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-4-morpholin-4-yl-4-oxobutanamide?
The IUPAC name of N-(3-iodophenyl)-4-morpholin-4-yl-4-oxobutanamide (CID 47102072) is N-(3-iodophenyl)-4-morpholin-4-yl-4-oxobutanamide.
What is the SMILES notation for N-(3-iodophenyl)-4-morpholin-4-yl-4-oxobutanamide?
The canonical SMILES for N-(3-iodophenyl)-4-morpholin-4-yl-4-oxobutanamide is O=C(CCC(=O)N1CCOCC1)Nc1cccc(I)c1.
What is the InChIKey of N-(3-iodophenyl)-4-morpholin-4-yl-4-oxobutanamide?
The InChIKey is LISQUPSZTMWWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN2O3/c15-11-2-1-3-12(10-11)16-13(18)4-5-14(19)17-6-8-20-9-7-17/h1-3,10H,4-9H2,(H,16,18).
What are the key properties of N-(3-iodophenyl)-4-morpholin-4-yl-4-oxobutanamide?
N-(3-iodophenyl)-4-morpholin-4-yl-4-oxobutanamide has a molecular weight of 388.21 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-4-morpholin-4-yl-4-oxobutanamide is sourced from PubChem (CID 47102072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).