propyl N-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-indol-4-yl]carbamate

C15H23N3O2 — CID 140669717

IUPACpropyl N-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-indol-4-yl]carbamate
SMILESCCCOC(=O)Nc1cccc2c1C(CN(C)C)CN2
InChIInChI=1S/C15H23N3O2/c1-4-8-20-15(19)17-13-7-5-6-12-14(13)11(9-16-12)10-18(2)3/h5-7,11,16H,4,8-10H2,1-3H3,(H,17,19)
InChIKeyBXRDORYVOCWRCT-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.72
Rot. Bonds5

About propyl N-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-indol-4-yl]carbamate

propyl N-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-indol-4-yl]carbamate (PubChem CID 140669717) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is propyl N-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-indol-4-yl]carbamate.

Molecular Properties

Compound Namepropyl N-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-indol-4-yl]carbamate
PubChem CID140669717
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namepropyl N-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-indol-4-yl]carbamate
SMILESCCCOC(=O)Nc1cccc2c1C(CN(C)C)CN2
InChIInChI=1S/C15H23N3O2/c1-4-8-20-15(19)17-13-7-5-6-12-14(13)11(9-16-12)10-18(2)3/h5-7,11,16H,4,8-10H2,1-3H3,(H,17,19)
InChIKeyBXRDORYVOCWRCT-UHFFFAOYSA-N
XLogP2.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 2-(2,3-dihydro-1H-indol-3-yl)acetate
CID 79600080
2-ethyl-6-(propoxycarbonylamino)benzoic acid
CID 19845860
[3-(2-aminoethyl)-2,3-dihydro-1H-indol-4-yl] N-ethyl-N-methylcarbamate
CID 71450003
propyl N-(7-hydroxynaphthalen-1-yl)carbamate
CID 19768158
ethyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethylsulfamoyl]carbamate
CID 114463228
2-[[2-(dimethylamino)phenyl]carbamoyloxy]ethyl N-[2-(dimethylamino)phenyl]carbamate;hydrochloride
CID 54599742
propyl 1,2,3,4-tetrahydroquinoline-3-carboxylate
CID 106902748
3-[4-[ethyl(methyl)carbamoyl]oxy-2,3-dihydro-1H-indol-3-yl]propanoic acid;hydrochloride
CID 71459006
propyl N-(6-phenyl-1,4,5,6-tetrahydropyrimidin-2-yl)carbamate
CID 13034517
[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] N-(2-propoxyphenyl)carbamate
CID 44724516
pentyl N-(2,3-dimethylphenyl)carbamate
CID 67224128
2-(2,3-dihydro-1H-indol-3-yl)-N-methyl-N-pentan-3-ylacetamide
CID 80573144

Frequently Asked Questions

What is the IUPAC name of propyl N-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-indol-4-yl]carbamate?
The IUPAC name of propyl N-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-indol-4-yl]carbamate (CID 140669717) is propyl N-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-indol-4-yl]carbamate.
What is the SMILES notation for propyl N-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-indol-4-yl]carbamate?
The canonical SMILES for propyl N-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-indol-4-yl]carbamate is CCCOC(=O)Nc1cccc2c1C(CN(C)C)CN2.
What is the InChIKey of propyl N-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-indol-4-yl]carbamate?
The InChIKey is BXRDORYVOCWRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-8-20-15(19)17-13-7-5-6-12-14(13)11(9-16-12)10-18(2)3/h5-7,11,16H,4,8-10H2,1-3H3,(H,17,19).
What are the key properties of propyl N-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-indol-4-yl]carbamate?
propyl N-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-indol-4-yl]carbamate has a molecular weight of 277.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[3-[(dimethylamino)methyl]-2,3-dihydro-1H-indol-4-yl]carbamate is sourced from PubChem (CID 140669717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).