3-amino-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxamide

C14H17N3O2 — CID 115161516

IUPAC3-amino-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxamide
SMILESNC1CC(C(=O)NCc2ccc3c(c2)CC(=O)N3)C1
InChIInChI=1S/C14H17N3O2/c15-11-4-10(5-11)14(19)16-7-8-1-2-12-9(3-8)6-13(18)17-12/h1-3,10-11H,4-7,15H2,(H,16,19)(H,17,18)
InChIKeyVOMXTMGGQBMRMF-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.53
Rot. Bonds3

About 3-amino-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxamide

3-amino-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxamide (PubChem CID 115161516) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-amino-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxamide
PubChem CID115161516
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-amino-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxamide
SMILESNC1CC(C(=O)NCc2ccc3c(c2)CC(=O)N3)C1
InChIInChI=1S/C14H17N3O2/c15-11-4-10(5-11)14(19)16-7-8-1-2-12-9(3-8)6-13(18)17-12/h1-3,10-11H,4-7,15H2,(H,16,19)(H,17,18)
InChIKeyVOMXTMGGQBMRMF-UHFFFAOYSA-N
XLogP0.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclohexanecarboxamide
CID 110781277
1-acetyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxamide
CID 110793835
4-oxo-4-[(2-oxo-1,3-dihydroindol-5-yl)methylamino]butanoic acid
CID 82501019
4-cyclohexyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-2-carboxamide
CID 167745207
2-(4-methylphenyl)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]acetamide
CID 110781350
N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 115158229
4-(methylamino)-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
CID 115155707
2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 82490915
5-[2-(azetidin-3-ylmethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115207779
5-[(piperidin-4-ylmethylamino)methyl]-1,3-dihydroindol-2-one
CID 115209941
3,4-dimethyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]benzamide
CID 110781303
5-[(2-hydroxyethylamino)methyl]-1,3-dihydroindol-2-one
CID 82470284

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of 3-amino-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxamide (CID 115161516) is 3-amino-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for 3-amino-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxamide is NC1CC(C(=O)NCc2ccc3c(c2)CC(=O)N3)C1.
What is the InChIKey of 3-amino-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxamide?
The InChIKey is VOMXTMGGQBMRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-11-4-10(5-11)14(19)16-7-8-1-2-12-9(3-8)6-13(18)17-12/h1-3,10-11H,4-7,15H2,(H,16,19)(H,17,18).
What are the key properties of 3-amino-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxamide?
3-amino-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 115161516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).