N-[4-(3-oxomorpholin-4-yl)phenyl]-N-propylcarbamoyl iodide

C14H17IN2O3 — CID 118233764

IUPACN-[4-(3-oxomorpholin-4-yl)phenyl]-N-propylcarbamoyl iodide
SMILESCCCN(C(=O)I)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C14H17IN2O3/c1-2-7-17(14(15)19)12-5-3-11(4-6-12)16-8-9-20-10-13(16)18/h3-6H,2,7-10H2,1H3
InChIKeyMYPWZDIWTKUKDC-UHFFFAOYSA-N
MW388.21 g/mol
LogP2.82
Rot. Bonds4

About N-[4-(3-oxomorpholin-4-yl)phenyl]-N-propylcarbamoyl iodide

N-[4-(3-oxomorpholin-4-yl)phenyl]-N-propylcarbamoyl iodide (PubChem CID 118233764) has the molecular formula C14H17IN2O3 and a molecular weight of 388.21 g/mol. Its IUPAC name is N-[4-(3-oxomorpholin-4-yl)phenyl]-N-propylcarbamoyl iodide.

Molecular Properties

Compound NameN-[4-(3-oxomorpholin-4-yl)phenyl]-N-propylcarbamoyl iodide
PubChem CID118233764
Molecular FormulaC14H17IN2O3
Molecular Weight388.21 g/mol
Exact Mass388.03
IUPAC NameN-[4-(3-oxomorpholin-4-yl)phenyl]-N-propylcarbamoyl iodide
SMILESCCCN(C(=O)I)c1ccc(N2CCOCC2=O)cc1
InChIInChI=1S/C14H17IN2O3/c1-2-7-17(14(15)19)12-5-3-11(4-6-12)16-8-9-20-10-13(16)18/h3-6H,2,7-10H2,1H3
InChIKeyMYPWZDIWTKUKDC-UHFFFAOYSA-N
XLogP2.82
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(2R)-3-chloro-2-methylpropyl]-N-[4-(3-oxomorpholin-4-yl)phenyl]carbamate
CID 59515501
N-[4-(3-oxomorpholin-4-yl)phenyl]butane-1-sulfonamide
CID 110363609
4-[4-(hydroxymethylamino)phenyl]morpholin-3-one
CID 70327805
4-[4-[[(2S)-2-hydroxybutyl]amino]phenyl]morpholin-3-one
CID 59515485
4-[4-(propan-2-ylamino)phenyl]morpholin-3-one
CID 70327069
4-[4-(3-hydroxypropylamino)phenyl]morpholin-3-one
CID 163448135
4-(3-oxomorpholin-4-yl)-N-pentylbenzenesulfonamide
CID 110372460
1-[(2-chloro-2,3-dihydrothiophene-5-carbonyl)amino]-3-[4-(3-oxomorpholin-4-yl)phenyl]-1-propylurea
CID 89047207
2-cyano-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 168524282
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
4-(4-ethynylphenyl)morpholin-3-one
CID 119094616
2-amino-4-methyl-N-[4-(3-oxomorpholin-4-yl)phenyl]pentanamide
CID 69060079

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-oxomorpholin-4-yl)phenyl]-N-propylcarbamoyl iodide?
The IUPAC name of N-[4-(3-oxomorpholin-4-yl)phenyl]-N-propylcarbamoyl iodide (CID 118233764) is N-[4-(3-oxomorpholin-4-yl)phenyl]-N-propylcarbamoyl iodide.
What is the SMILES notation for N-[4-(3-oxomorpholin-4-yl)phenyl]-N-propylcarbamoyl iodide?
The canonical SMILES for N-[4-(3-oxomorpholin-4-yl)phenyl]-N-propylcarbamoyl iodide is CCCN(C(=O)I)c1ccc(N2CCOCC2=O)cc1.
What is the InChIKey of N-[4-(3-oxomorpholin-4-yl)phenyl]-N-propylcarbamoyl iodide?
The InChIKey is MYPWZDIWTKUKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN2O3/c1-2-7-17(14(15)19)12-5-3-11(4-6-12)16-8-9-20-10-13(16)18/h3-6H,2,7-10H2,1H3.
What are the key properties of N-[4-(3-oxomorpholin-4-yl)phenyl]-N-propylcarbamoyl iodide?
N-[4-(3-oxomorpholin-4-yl)phenyl]-N-propylcarbamoyl iodide has a molecular weight of 388.21 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-oxomorpholin-4-yl)phenyl]-N-propylcarbamoyl iodide is sourced from PubChem (CID 118233764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).