3-methoxypropyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate

C18H24N4O3 — CID 25173230

IUPAC3-methoxypropyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate
SMILESCOCCCOC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C18H24N4O3/c1-21(18(23)25-9-3-8-24-2)16-5-4-14-6-7-22(17(14)10-16)12-15-11-19-13-20-15/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,19,20)
InChIKeyGAVMWQXCNHGKBD-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.58
Rot. Bonds7

About 3-methoxypropyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate

3-methoxypropyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate (PubChem CID 25173230) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-methoxypropyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate.

Molecular Properties

Compound Name3-methoxypropyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate
PubChem CID25173230
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-methoxypropyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate
SMILESCOCCCOC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2
InChIInChI=1S/C18H24N4O3/c1-21(18(23)25-9-3-8-24-2)16-5-4-14-6-7-22(17(14)10-16)12-15-11-19-13-20-15/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,19,20)
InChIKeyGAVMWQXCNHGKBD-UHFFFAOYSA-N
XLogP2.58
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate
CID 59468824
methyl N-ethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate
CID 59468790
(2S)-2-amino-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylhexanamide
CID 59468851
N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-phenylmethoxyacetamide
CID 59468855
1-(1H-imidazol-5-ylmethyl)-6-methoxy-2,3-dihydroindole
CID 24951528
1-(1H-imidazol-5-ylmethyl)-N-methyl-2,3-dihydroindole-6-carboxamide
CID 59468734
methyl N,N'-diethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamimidate
CID 143737353
1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methylurea
CID 59468844
but-2-ynyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;1-ethyl-1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-3-methoxyurea;hexyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-2-(2-methoxyethoxy)-N-methylacetamide;N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methyl-2-thiophen-2-ylacetamide;methyl N-[4-chloro-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-ethylcarbamate
CID 159693362
1-(1H-imidazol-5-ylmethyl)-6-(4-methylphenyl)-2,3-dihydroindole
CID 59435409
1-(1H-imidazol-5-ylmethyl)-6-[1-(2-methoxyethyl)tetrazol-5-yl]-2,3-dihydroindole
CID 59435343
1-[4-bromo-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-1,3-dimethylurea;1-ethyl-3-(furan-2-ylmethyl)-1-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]urea;N-ethyl-N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]acetamide;N-[5-fluoro-1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylacetamide;2-methoxyethyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]carbamate;2-methoxyethyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;3-methoxypropyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate;(5-methyl-1,2-oxazol-3-yl)methyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate
CID 159902915

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate?
The IUPAC name of 3-methoxypropyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate (CID 25173230) is 3-methoxypropyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate.
What is the SMILES notation for 3-methoxypropyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate?
The canonical SMILES for 3-methoxypropyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate is COCCCOC(=O)N(C)c1ccc2c(c1)N(Cc1cnc[nH]1)CC2.
What is the InChIKey of 3-methoxypropyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate?
The InChIKey is GAVMWQXCNHGKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-21(18(23)25-9-3-8-24-2)16-5-4-14-6-7-22(17(14)10-16)12-15-11-19-13-20-15/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,19,20).
What are the key properties of 3-methoxypropyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate?
3-methoxypropyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate has a molecular weight of 344.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypropyl N-[1-(1H-imidazol-5-ylmethyl)-2,3-dihydroindol-6-yl]-N-methylcarbamate is sourced from PubChem (CID 25173230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).