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

C14H18N2O — CID 113463842

IUPACN-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESCC1CC1CNC(=O)C1CNc2ccccc21
InChIInChI=1S/C14H18N2O/c1-9-6-10(9)7-16-14(17)12-8-15-13-5-3-2-4-11(12)13/h2-5,9-10,12,15H,6-8H2,1H3,(H,16,17)
InChIKeyGTCQJDZYANVWQD-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.97
Rot. Bonds3

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

N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide (PubChem CID 113463842) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
PubChem CID113463842
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
SMILESCC1CC1CNC(=O)C1CNc2ccccc21
InChIInChI=1S/C14H18N2O/c1-9-6-10(9)7-16-14(17)12-8-15-13-5-3-2-4-11(12)13/h2-5,9-10,12,15H,6-8H2,1H3,(H,16,17)
InChIKeyGTCQJDZYANVWQD-UHFFFAOYSA-N
XLogP1.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566002
N-[(3-hydroxycyclopentyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 106134248
N-[(3-hydroxycyclohexyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 106135230
N-(2,2-difluoroethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 115406896
N-hexyl-2,3-dihydro-1H-indole-3-carboxamide
CID 80565289
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80565293
4-(2,3-dihydro-1H-indole-3-carbonylamino)butanoic acid
CID 80565766
N-(pyridin-4-ylmethyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566085
4-(2,3-dihydro-1H-indole-3-carbonylamino)-2-methylbutanoic acid
CID 80567354
4-(2,3-dihydro-1H-indole-3-carbonylamino)-3-methylbutanoic acid
CID 81072234
N-(2-methylbutan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565156
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80563456

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
The IUPAC name of N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide (CID 113463842) is N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
The canonical SMILES for N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide is CC1CC1CNC(=O)C1CNc2ccccc21.
What is the InChIKey of N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
The InChIKey is GTCQJDZYANVWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-6-10(9)7-16-14(17)12-8-15-13-5-3-2-4-11(12)13/h2-5,9-10,12,15H,6-8H2,1H3,(H,16,17).
What are the key properties of N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide?
N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopropyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide is sourced from PubChem (CID 113463842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).