4-N-(2-chloropropanoyl)-3-N-cyclopropylmorpholine-3,4-dicarboxamide

C12H18ClN3O4 — CID 83103615

IUPAC4-N-(2-chloropropanoyl)-3-N-cyclopropylmorpholine-3,4-dicarboxamide
SMILESCC(Cl)C(=O)NC(=O)N1CCOCC1C(=O)NC1CC1
InChIInChI=1S/C12H18ClN3O4/c1-7(13)10(17)15-12(19)16-4-5-20-6-9(16)11(18)14-8-2-3-8/h7-9H,2-6H2,1H3,(H,14,18)(H,15,17,19)
InChIKeyWNRMJMIKECLZSV-UHFFFAOYSA-N
MW303.75 g/mol
LogP-0.17
Rot. Bonds3

About 4-N-(2-chloropropanoyl)-3-N-cyclopropylmorpholine-3,4-dicarboxamide

4-N-(2-chloropropanoyl)-3-N-cyclopropylmorpholine-3,4-dicarboxamide (PubChem CID 83103615) has the molecular formula C12H18ClN3O4 and a molecular weight of 303.75 g/mol. Its IUPAC name is 4-N-(2-chloropropanoyl)-3-N-cyclopropylmorpholine-3,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-chloropropanoyl)-3-N-cyclopropylmorpholine-3,4-dicarboxamide
PubChem CID83103615
Molecular FormulaC12H18ClN3O4
Molecular Weight303.75 g/mol
Exact Mass303.10
IUPAC Name4-N-(2-chloropropanoyl)-3-N-cyclopropylmorpholine-3,4-dicarboxamide
SMILESCC(Cl)C(=O)NC(=O)N1CCOCC1C(=O)NC1CC1
InChIInChI=1S/C12H18ClN3O4/c1-7(13)10(17)15-12(19)16-4-5-20-6-9(16)11(18)14-8-2-3-8/h7-9H,2-6H2,1H3,(H,14,18)(H,15,17,19)
InChIKeyWNRMJMIKECLZSV-UHFFFAOYSA-N
XLogP-0.17
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(2-chloropropanoylcarbamoyl)morpholine-3-carboxylate
CID 104774828
3-N-cyclopropyl-4-N-methylmorpholine-3,4-dicarboxamide
CID 116657472
N-cyclopropyl-4-[2-(methylamino)propanoyl]morpholine-3-carboxamide
CID 83097661
4-(2-bromo-3-methylbutanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83106807
N-cyclopropyl-4-(2,2-dimethylpropanoyl)morpholine-3-carboxamide
CID 83104501
4-[(2R)-2-amino-4-methylpentanoyl]-N-cyclopropylmorpholine-3-carboxamide
CID 104903912
4-(4-aminopentanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83096865
5-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methyl-5-oxopentanoic acid
CID 83098608
1-[[3-(cyclopropylcarbamoyl)morpholine-4-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 83104570
4-(2-amino-3-methylpentanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098233
N-cyclopropyl-4-(2-sulfanylacetyl)morpholine-3-carboxamide
CID 83105257
4-(5-aminohexanoyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83098457

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloropropanoyl)-3-N-cyclopropylmorpholine-3,4-dicarboxamide?
The IUPAC name of 4-N-(2-chloropropanoyl)-3-N-cyclopropylmorpholine-3,4-dicarboxamide (CID 83103615) is 4-N-(2-chloropropanoyl)-3-N-cyclopropylmorpholine-3,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-chloropropanoyl)-3-N-cyclopropylmorpholine-3,4-dicarboxamide?
The canonical SMILES for 4-N-(2-chloropropanoyl)-3-N-cyclopropylmorpholine-3,4-dicarboxamide is CC(Cl)C(=O)NC(=O)N1CCOCC1C(=O)NC1CC1.
What is the InChIKey of 4-N-(2-chloropropanoyl)-3-N-cyclopropylmorpholine-3,4-dicarboxamide?
The InChIKey is WNRMJMIKECLZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O4/c1-7(13)10(17)15-12(19)16-4-5-20-6-9(16)11(18)14-8-2-3-8/h7-9H,2-6H2,1H3,(H,14,18)(H,15,17,19).
What are the key properties of 4-N-(2-chloropropanoyl)-3-N-cyclopropylmorpholine-3,4-dicarboxamide?
4-N-(2-chloropropanoyl)-3-N-cyclopropylmorpholine-3,4-dicarboxamide has a molecular weight of 303.75 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloropropanoyl)-3-N-cyclopropylmorpholine-3,4-dicarboxamide is sourced from PubChem (CID 83103615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).