N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide

C14H17IN2O3 — CID 83100853

IUPACN-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)c1cccc(I)c1
InChIInChI=1S/C14H17IN2O3/c1-2-16-13(18)12-9-20-7-6-17(12)14(19)10-4-3-5-11(15)8-10/h3-5,8,12H,2,6-7,9H2,1H3,(H,16,18)
InChIKeyIERRKJZNIOAKNS-UHFFFAOYSA-N
MW388.21 g/mol
LogP1.27
Rot. Bonds3

About N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide

N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide (PubChem CID 83100853) has the molecular formula C14H17IN2O3 and a molecular weight of 388.21 g/mol. Its IUPAC name is N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide
PubChem CID83100853
Molecular FormulaC14H17IN2O3
Molecular Weight388.21 g/mol
Exact Mass388.03
IUPAC NameN-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1C(=O)c1cccc(I)c1
InChIInChI=1S/C14H17IN2O3/c1-2-16-13(18)12-9-20-7-6-17(12)14(19)10-4-3-5-11(15)8-10/h3-5,8,12H,2,6-7,9H2,1H3,(H,16,18)
InChIKeyIERRKJZNIOAKNS-UHFFFAOYSA-N
XLogP1.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.21
LogP ≤ 51.27
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-[3-(chloromethyl)benzoyl]-N-ethylmorpholine-3-carboxamide
CID 83098794
4-(3-bromo-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 107953173
4-(3-amino-4-fluorobenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83099381
4-[2-(aminomethyl)pyridine-4-carbonyl]-N-ethylmorpholine-3-carboxamide
CID 83098199
4-(3-bromo-5-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 104852955
4-(3-bromo-2-methylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 83098499
4-(2-chloro-5-sulfanylbenzoyl)-N-ethylmorpholine-3-carboxamide
CID 107034008
3-N-ethylmorpholine-3,4-dicarboxamide
CID 83106248
N-ethyl-4-(4-sulfanylthiophene-2-carbonyl)morpholine-3-carboxamide
CID 107034016
4-(2-amino-2-phenylacetyl)-N-ethylmorpholine-3-carboxamide
CID 83098419
methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408
4-(3-aminobenzoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83099541

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide?
The IUPAC name of N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide (CID 83100853) is N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide.
What is the SMILES notation for N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide?
The canonical SMILES for N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide is CCNC(=O)C1COCCN1C(=O)c1cccc(I)c1.
What is the InChIKey of N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide?
The InChIKey is IERRKJZNIOAKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN2O3/c1-2-16-13(18)12-9-20-7-6-17(12)14(19)10-4-3-5-11(15)8-10/h3-5,8,12H,2,6-7,9H2,1H3,(H,16,18).
What are the key properties of N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide?
N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide has a molecular weight of 388.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide is sourced from PubChem (CID 83100853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).