4-(3-aminobenzoyl)-N-cyclopropylmorpholine-3-carboxamide

C15H19N3O3 — CID 83099541

IUPAC4-(3-aminobenzoyl)-N-cyclopropylmorpholine-3-carboxamide
SMILESNc1cccc(C(=O)N2CCOCC2C(=O)NC2CC2)c1
InChIInChI=1S/C15H19N3O3/c16-11-3-1-2-10(8-11)15(20)18-6-7-21-9-13(18)14(19)17-12-4-5-12/h1-3,8,12-13H,4-7,9,16H2,(H,17,19)
InChIKeyBPXZVQFKJJPBQX-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.39
Rot. Bonds3

About 4-(3-aminobenzoyl)-N-cyclopropylmorpholine-3-carboxamide

4-(3-aminobenzoyl)-N-cyclopropylmorpholine-3-carboxamide (PubChem CID 83099541) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-(3-aminobenzoyl)-N-cyclopropylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-aminobenzoyl)-N-cyclopropylmorpholine-3-carboxamide
PubChem CID83099541
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-(3-aminobenzoyl)-N-cyclopropylmorpholine-3-carboxamide
SMILESNc1cccc(C(=O)N2CCOCC2C(=O)NC2CC2)c1
InChIInChI=1S/C15H19N3O3/c16-11-3-1-2-10(8-11)15(20)18-6-7-21-9-13(18)14(19)17-12-4-5-12/h1-3,8,12-13H,4-7,9,16H2,(H,17,19)
InChIKeyBPXZVQFKJJPBQX-UHFFFAOYSA-N
XLogP0.39
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-(4-iodobenzoyl)morpholine-3-carboxamide
CID 83102563
4-(4-amino-1-methylpyrrole-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83099533
N-cyclopropyl-4-(6-fluoropyridine-3-carbonyl)morpholine-3-carboxamide
CID 83098403
4-(3-amino-1H-1,2,4-triazole-5-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83097063
4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 107519258
4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107171
4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid
CID 120521870
N-ethyl-4-(3-iodobenzoyl)morpholine-3-carboxamide
CID 83100853
4-(5-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 83102689
N-cyclopropyl-1-(3-iodobenzoyl)pyrrolidine-2-carboxamide
CID 47158356
N-cyclopropyl-4-(2-hydrazinyl-2-oxoacetyl)morpholine-3-carboxamide
CID 83103627
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(3-aminophenyl)methanone
CID 54906161

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminobenzoyl)-N-cyclopropylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-aminobenzoyl)-N-cyclopropylmorpholine-3-carboxamide (CID 83099541) is 4-(3-aminobenzoyl)-N-cyclopropylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-aminobenzoyl)-N-cyclopropylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-aminobenzoyl)-N-cyclopropylmorpholine-3-carboxamide is Nc1cccc(C(=O)N2CCOCC2C(=O)NC2CC2)c1.
What is the InChIKey of 4-(3-aminobenzoyl)-N-cyclopropylmorpholine-3-carboxamide?
The InChIKey is BPXZVQFKJJPBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-11-3-1-2-10(8-11)15(20)18-6-7-21-9-13(18)14(19)17-12-4-5-12/h1-3,8,12-13H,4-7,9,16H2,(H,17,19).
What are the key properties of 4-(3-aminobenzoyl)-N-cyclopropylmorpholine-3-carboxamide?
4-(3-aminobenzoyl)-N-cyclopropylmorpholine-3-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminobenzoyl)-N-cyclopropylmorpholine-3-carboxamide is sourced from PubChem (CID 83099541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).