4-amino-N-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzamide

C16H21N3O3 — CID 82069705

IUPAC4-amino-N-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzamide
SMILESNc1ccc(C(=O)NC2CC2)cc1OCC(=O)N1CCCC1
InChIInChI=1S/C16H21N3O3/c17-13-6-3-11(16(21)18-12-4-5-12)9-14(13)22-10-15(20)19-7-1-2-8-19/h3,6,9,12H,1-2,4-5,7-8,10,17H2,(H,18,21)
InChIKeyMJKSUTFBUNJTFY-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.16
Rot. Bonds5

About 4-amino-N-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzamide

4-amino-N-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzamide (PubChem CID 82069705) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzamide
PubChem CID82069705
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name4-amino-N-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzamide
SMILESNc1ccc(C(=O)NC2CC2)cc1OCC(=O)N1CCCC1
InChIInChI=1S/C16H21N3O3/c17-13-6-3-11(16(21)18-12-4-5-12)9-14(13)22-10-15(20)19-7-1-2-8-19/h3,6,9,12H,1-2,4-5,7-8,10,17H2,(H,18,21)
InChIKeyMJKSUTFBUNJTFY-UHFFFAOYSA-N
XLogP1.16
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.16
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

4-amino-3-(2-oxo-2-pyrrolidin-1-ylethoxy)-N-prop-2-enylbenzamide
CID 82069703
N-cyclopropyl-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 9165476
4-amino-3-(cyanomethoxy)-N-cycloheptylbenzamide
CID 82069915
4-amino-N-cyclopentyl-3-[3-(dimethylamino)propoxy]benzamide
CID 82070130
methyl 3-amino-4-(2-oxo-2-pyrrolidin-1-ylethoxy)benzoate
CID 43380297
4-amino-N-(4-hydroxycyclohexyl)-3-methoxybenzamide
CID 89028279
4-amino-N-cyclopropyl-3-[(2-fluorophenyl)methoxy]benzamide
CID 82069752
3-amino-N-cyclopropyl-4-pyrrolidin-1-ylbenzamide
CID 100632231
4-methyl-3-(2-oxo-2-piperidin-1-ylethoxy)benzoic acid
CID 45320509
4-amino-3-methoxy-N-[(3S)-1-methylpiperidin-3-yl]benzamide
CID 89186292
trans-methyl (1R,2R)-2-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]cyclopentane-1-carboxylate
CID 96508175
4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide
CID 156882442

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzamide?
The IUPAC name of 4-amino-N-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzamide (CID 82069705) is 4-amino-N-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzamide?
The canonical SMILES for 4-amino-N-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzamide is Nc1ccc(C(=O)NC2CC2)cc1OCC(=O)N1CCCC1.
What is the InChIKey of 4-amino-N-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzamide?
The InChIKey is MJKSUTFBUNJTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c17-13-6-3-11(16(21)18-12-4-5-12)9-14(13)22-10-15(20)19-7-1-2-8-19/h3,6,9,12H,1-2,4-5,7-8,10,17H2,(H,18,21).
What are the key properties of 4-amino-N-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzamide?
4-amino-N-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzamide has a molecular weight of 303.36 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-3-(2-oxo-2-pyrrolidin-1-ylethoxy)benzamide is sourced from PubChem (CID 82069705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).