[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] carbamate

C23H25N3O3 — CID 67835728

IUPAC[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] carbamate
SMILESCC(Cc1c[nH]c2ccccc12)(OC(N)=O)C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C23H25N3O3/c1-23(29-22(24)28,13-16-14-25-19-11-5-4-10-18(16)19)21(27)26-20-12-6-8-15-7-2-3-9-17(15)20/h2-5,7,9-11,14,20,25H,6,8,12-13H2,1H3,(H2,24,28)(H,26,27)
InChIKeyMCWQWNBMLOPRNN-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.76
Rot. Bonds5

About [3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] carbamate

[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] carbamate (PubChem CID 67835728) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is [3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] carbamate.

Molecular Properties

Compound Name[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] carbamate
PubChem CID67835728
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] carbamate
SMILESCC(Cc1c[nH]c2ccccc12)(OC(N)=O)C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C23H25N3O3/c1-23(29-22(24)28,13-16-14-25-19-11-5-4-10-18(16)19)21(27)26-20-12-6-8-15-7-2-3-9-17(15)20/h2-5,7,9-11,14,20,25H,6,8,12-13H2,1H3,(H2,24,28)(H,26,27)
InChIKeyMCWQWNBMLOPRNN-UHFFFAOYSA-N
XLogP3.76
TPSA97.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 51901379
3-[5-(1H-indol-3-ylmethyl)-1,3,4-oxadiazol-2-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 29151879
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]-5,6-dimethoxy-2,3-dihydro-1H-indole-2-carboxamide
CID 127024513
2,2-dimethyl-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 166867733
2-(1H-indol-3-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 46420164
[(2R)-1-amino-2-(1H-indol-3-ylmethyl)-3,3-dimethyl-1-sulfanylidenebutan-2-yl] carbamate
CID 87622971
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 10935596
N-[2-(1H-indol-3-yl)ethyl]-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 51565835
(E)-3-[5-[2-(1H-indol-3-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]prop-2-enamide
CID 155181306
1-[(5-methoxy-1H-indol-3-yl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 97045189
[1-amino-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl] N-[1-(hydroxymethyl)cyclohexyl]carbamate
CID 67668507
(2R)-2-[[5-(1H-indol-3-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 135840746

Frequently Asked Questions

What is the IUPAC name of [3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] carbamate?
The IUPAC name of [3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] carbamate (CID 67835728) is [3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] carbamate.
What is the SMILES notation for [3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] carbamate?
The canonical SMILES for [3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] carbamate is CC(Cc1c[nH]c2ccccc12)(OC(N)=O)C(=O)NC1CCCc2ccccc21.
What is the InChIKey of [3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] carbamate?
The InChIKey is MCWQWNBMLOPRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-23(29-22(24)28,13-16-14-25-19-11-5-4-10-18(16)19)21(27)26-20-12-6-8-15-7-2-3-9-17(15)20/h2-5,7,9-11,14,20,25H,6,8,12-13H2,1H3,(H2,24,28)(H,26,27).
What are the key properties of [3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] carbamate?
[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] carbamate has a molecular weight of 391.47 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] carbamate is sourced from PubChem (CID 67835728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).