N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide

C14H18N2O2 — CID 80567431

IUPACN-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC1(CNC(=O)C2Cc3ccccc3N2)COC1
InChIInChI=1S/C14H18N2O2/c1-14(8-18-9-14)7-15-13(17)12-6-10-4-2-3-5-11(10)16-12/h2-5,12,16H,6-9H2,1H3,(H,15,17)
InChIKeyUFIAZUDNFLPTKB-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.18
Rot. Bonds3

About N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide

N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 80567431) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID80567431
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCC1(CNC(=O)C2Cc3ccccc3N2)COC1
InChIInChI=1S/C14H18N2O2/c1-14(8-18-9-14)7-15-13(17)12-6-10-4-2-3-5-11(10)16-12/h2-5,12,16H,6-9H2,1H3,(H,15,17)
InChIKeyUFIAZUDNFLPTKB-UHFFFAOYSA-N
XLogP1.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
(2S)-N-(2,3-dimethylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 64599096
N-(2,2,3,3-tetramethylcyclopropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 80567392
(2S)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147921
2-[1-[(2,3-dihydro-1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81164791
(2S)-N-pentyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148939
3-(2,3-dihydro-1H-indole-2-carbonylamino)-2-methylpropanoic acid
CID 54462725
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648
(2S)-N-(2-hydroxy-2-methylbutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 65106564
methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride
CID 67874407
N-(4-hydroxybutyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106842127
bis(2,3-dihydro-1H-indol-2-yl)methanone
CID 174436301

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 80567431) is N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is CC1(CNC(=O)C2Cc3ccccc3N2)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is UFIAZUDNFLPTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(8-18-9-14)7-15-13(17)12-6-10-4-2-3-5-11(10)16-12/h2-5,12,16H,6-9H2,1H3,(H,15,17).
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 80567431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).