3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide

C21H29N3O3 — CID 173179790

IUPAC3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide
SMILESNC(=O)C1OCCCC1NC(=O)c1ccc(C2(CN3CCCC3)CC2)cc1
InChIInChI=1S/C21H29N3O3/c22-19(25)18-17(4-3-13-27-18)23-20(26)15-5-7-16(8-6-15)21(9-10-21)14-24-11-1-2-12-24/h5-8,17-18H,1-4,9-14H2,(H2,22,25)(H,23,26)
InChIKeyVLLPOBBALMKVRP-UHFFFAOYSA-N
MW371.48 g/mol
LogP1.58
Rot. Bonds6

About 3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide

3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide (PubChem CID 173179790) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide.

Molecular Properties

Compound Name3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide
PubChem CID173179790
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide
SMILESNC(=O)C1OCCCC1NC(=O)c1ccc(C2(CN3CCCC3)CC2)cc1
InChIInChI=1S/C21H29N3O3/c22-19(25)18-17(4-3-13-27-18)23-20(26)15-5-7-16(8-6-15)21(9-10-21)14-24-11-1-2-12-24/h5-8,17-18H,1-4,9-14H2,(H2,22,25)(H,23,26)
InChIKeyVLLPOBBALMKVRP-UHFFFAOYSA-N
XLogP1.58
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminocyclohexyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
CID 69440556
3-[[4-[1-[2-(dimethylamino)ethyl]cyclopropyl]benzoyl]amino]oxane-2-carboxamide
CID 173179695
4-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide
CID 173179783
1-(2-methoxyacetyl)-3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]piperidine-2-carboxamide
CID 173179794
N-(3-amino-2-methyl-3-oxopropyl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
CID 173174589
N-(1-amino-2-methylpropan-2-yl)-4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzamide
CID 69491991
3-chloro-N-[4-(dimethylcarbamoyl)-2-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]cyclohexyl]-1H-indole-6-carboxamide
CID 90711974
N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 133268403
N-[1-[[1-(4-methylphenyl)cyclopentyl]methyl]piperidin-4-yl]oxane-4-carboxamide
CID 92557507
4-acetamido-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24871867
4-N-[2-(hydroxymethyl)cyclohexyl]benzene-1,4-dicarboxamide
CID 103798607
4-(aminomethyl)-N-[(1S,2R)-2-[[(3R)-3-ethylpiperidin-1-yl]methyl]cyclohexyl]benzamide
CID 59007507

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide?
The IUPAC name of 3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide (CID 173179790) is 3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide.
What is the SMILES notation for 3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide?
The canonical SMILES for 3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide is NC(=O)C1OCCCC1NC(=O)c1ccc(C2(CN3CCCC3)CC2)cc1.
What is the InChIKey of 3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide?
The InChIKey is VLLPOBBALMKVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c22-19(25)18-17(4-3-13-27-18)23-20(26)15-5-7-16(8-6-15)21(9-10-21)14-24-11-1-2-12-24/h5-8,17-18H,1-4,9-14H2,(H2,22,25)(H,23,26).
What are the key properties of 3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide?
3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[1-(pyrrolidin-1-ylmethyl)cyclopropyl]benzoyl]amino]oxane-2-carboxamide is sourced from PubChem (CID 173179790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).