cyclopentyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate

C26H31N3O3 — CID 10455561

IUPACcyclopentyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
SMILESCC(Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCC1)C(=O)NCCc1ccccc1
InChIInChI=1S/C26H31N3O3/c1-26(29-25(31)32-21-11-5-6-12-21,17-20-18-28-23-14-8-7-13-22(20)23)24(30)27-16-15-19-9-3-2-4-10-19/h2-4,7-10,13-14,18,21,28H,5-6,11-12,15-17H2,1H3,(H,27,30)(H,29,31)
InChIKeyHVPHWUZVPVWLGQ-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.50
Rot. Bonds8

About cyclopentyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate

cyclopentyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate (PubChem CID 10455561) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is cyclopentyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate.

Molecular Properties

Compound Namecyclopentyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
PubChem CID10455561
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Namecyclopentyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
SMILESCC(Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCC1)C(=O)NCCc1ccccc1
InChIInChI=1S/C26H31N3O3/c1-26(29-25(31)32-21-11-5-6-12-21,17-20-18-28-23-14-8-7-13-22(20)23)24(30)27-16-15-19-9-3-2-4-10-19/h2-4,7-10,13-14,18,21,28H,5-6,11-12,15-17H2,1H3,(H,27,30)(H,29,31)
InChIKeyHVPHWUZVPVWLGQ-UHFFFAOYSA-N
XLogP4.50
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl] N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 10074744
(2,4-difluorophenyl)methyl N-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
CID 57261981
3-(1H-indol-3-yl)-2,2-dimethyl-N-(2-phenylethyl)propanamide
CID 23356005
(4-fluorophenyl)methyl-[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamic acid
CID 67600506
(2R)-3-(1H-indol-3-yl)-2-methyl-2-[(2-methylcyclohexyl)oxycarbonylamino]propanoic acid
CID 10428483
4-[[2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]butanoic acid
CID 18386748
2-(1H-indol-3-ylmethyl)-2-methyl-N-(2-phenylethyl)butanamide
CID 54112601
2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methylpropanoyl]amino]acetic acid
CID 18338541
2-adamantyl N-[1-[2-(1-benzothiophen-3-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate
CID 86747493
[(1R,2R)-2-methylcyclohexyl] N-[(2R)-1-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamate
CID 23900136
(3S)-3-[[(2R)-3-(1H-indol-3-yl)-2-methyl-2-[[(1R,2R)-2-methylcyclohexyl]oxycarbonylamino]propanoyl]amino]-4-phenylbutanoic acid
CID 10052360
[1-[2-(furan-2-yl)ethylamino]-3-(1H-indol-3-yl)-2-methyl-1-oxopropan-2-yl]carbamic acid
CID 19047782

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate?
The IUPAC name of cyclopentyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate (CID 10455561) is cyclopentyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate.
What is the SMILES notation for cyclopentyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate?
The canonical SMILES for cyclopentyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate is CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1CCCC1)C(=O)NCCc1ccccc1.
What is the InChIKey of cyclopentyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate?
The InChIKey is HVPHWUZVPVWLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-26(29-25(31)32-21-11-5-6-12-21,17-20-18-28-23-14-8-7-13-22(20)23)24(30)27-16-15-19-9-3-2-4-10-19/h2-4,7-10,13-14,18,21,28H,5-6,11-12,15-17H2,1H3,(H,27,30)(H,29,31).
What are the key properties of cyclopentyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate?
cyclopentyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate has a molecular weight of 433.55 g/mol, XLogP of 4.50, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-[3-(1H-indol-3-yl)-2-methyl-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate is sourced from PubChem (CID 10455561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).