N-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide

C15H18N2O2 — CID 103993280

IUPACN-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide
SMILESCOC1(CNC(=O)c2cc3ccccc3[nH]2)CCC1
InChIInChI=1S/C15H18N2O2/c1-19-15(7-4-8-15)10-16-14(18)13-9-11-5-2-3-6-12(11)17-13/h2-3,5-6,9,17H,4,7-8,10H2,1H3,(H,16,18)
InChIKeyLXOVYDJGGACVRU-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.47
Rot. Bonds4

About N-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide

N-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide (PubChem CID 103993280) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide
PubChem CID103993280
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide
SMILESCOC1(CNC(=O)c2cc3ccccc3[nH]2)CCC1
InChIInChI=1S/C15H18N2O2/c1-19-15(7-4-8-15)10-16-14(18)13-9-11-5-2-3-6-12(11)17-13/h2-3,5-6,9,17H,4,7-8,10H2,1H3,(H,16,18)
InChIKeyLXOVYDJGGACVRU-UHFFFAOYSA-N
XLogP2.47
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1H-indole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 81362845
2-[1-[(1H-indole-2-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81165050
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
2-iodo-N-[(1-methoxycyclobutyl)methyl]benzamide
CID 103993329
methyl 6-(1H-indole-2-carbonylamino)hexanoate
CID 43407298
3-(1H-indole-2-carbonylamino)-2-methoxypropanoic acid
CID 114144333
N-[3-(2-methoxyethoxy)propyl]-1H-indole-2-carboxamide
CID 51979700
N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9270219
N-[4-(2-methoxyethoxy)butyl]-1H-indole-2-carboxamide
CID 115599717
N-[(2,5-dimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 34866358
N-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9483409
N-[(1-methoxycyclobutyl)methyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 75451316

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide (CID 103993280) is N-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide is COC1(CNC(=O)c2cc3ccccc3[nH]2)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide?
The InChIKey is LXOVYDJGGACVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-15(7-4-8-15)10-16-14(18)13-9-11-5-2-3-6-12(11)17-13/h2-3,5-6,9,17H,4,7-8,10H2,1H3,(H,16,18).
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide?
N-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 103993280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).