1-[2-(tert-butylamino)-2-oxoethyl]-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]cyclopentane-1-carboxamide

C28H35N3O2 — CID 31818312

IUPAC1-[2-(tert-butylamino)-2-oxoethyl]-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]cyclopentane-1-carboxamide
SMILESCC(C)(C)NC(=O)CC1(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)CCCC1
InChIInChI=1S/C28H35N3O2/c1-27(2,3)31-25(32)17-28(15-9-10-16-28)26(33)30-18-22(20-11-5-4-6-12-20)23-19-29-24-14-8-7-13-21(23)24/h4-8,11-14,19,22,29H,9-10,15-18H2,1-3H3,(H,30,33)(H,31,32)/t22-/m0/s1
InChIKeySDGBPLVTQRDYJI-QFIPXVFZSA-N
MW445.61 g/mol
LogP5.28
Rot. Bonds7

About 1-[2-(tert-butylamino)-2-oxoethyl]-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]cyclopentane-1-carboxamide

1-[2-(tert-butylamino)-2-oxoethyl]-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]cyclopentane-1-carboxamide (PubChem CID 31818312) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)-2-oxoethyl]-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[2-(tert-butylamino)-2-oxoethyl]-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]cyclopentane-1-carboxamide
PubChem CID31818312
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC Name1-[2-(tert-butylamino)-2-oxoethyl]-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]cyclopentane-1-carboxamide
SMILESCC(C)(C)NC(=O)CC1(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)CCCC1
InChIInChI=1S/C28H35N3O2/c1-27(2,3)31-25(32)17-28(15-9-10-16-28)26(33)30-18-22(20-11-5-4-6-12-20)23-19-29-24-14-8-7-13-21(23)24/h4-8,11-14,19,22,29H,9-10,15-18H2,1-3H3,(H,30,33)(H,31,32)/t22-/m0/s1
InChIKeySDGBPLVTQRDYJI-QFIPXVFZSA-N
XLogP5.28
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617194
N-[2-(1H-indol-3-yl)-2-phenylethyl]pentanamide
CID 24599762
2-(3-hydroxy-1-adamantyl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]acetamide
CID 24599851
(1S)-2,2-dichloro-N-[(2R)-2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 31854198
2,2-dichloro-N-[2-[4-(dimethylamino)phenyl]-2-(1H-indol-3-yl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 43005305
1-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-3-phenylurea
CID 27870739
N-[(2R)-2-(1H-indol-3-yl)-2-phenylethyl]-2-methylbenzamide
CID 35180736
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]propanamide
CID 31216063
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51154964
1-[2-(4-fluorophenyl)-2-(1H-indol-3-yl)ethyl]-3-[(4-fluorophenyl)methyl]urea
CID 50801431
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-phenylbutanamide
CID 46471647
N-[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]butanamide
CID 31818454

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)-2-oxoethyl]-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-[2-(tert-butylamino)-2-oxoethyl]-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]cyclopentane-1-carboxamide (CID 31818312) is 1-[2-(tert-butylamino)-2-oxoethyl]-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-[2-(tert-butylamino)-2-oxoethyl]-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-[2-(tert-butylamino)-2-oxoethyl]-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]cyclopentane-1-carboxamide is CC(C)(C)NC(=O)CC1(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)CCCC1.
What is the InChIKey of 1-[2-(tert-butylamino)-2-oxoethyl]-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]cyclopentane-1-carboxamide?
The InChIKey is SDGBPLVTQRDYJI-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H35N3O2/c1-27(2,3)31-25(32)17-28(15-9-10-16-28)26(33)30-18-22(20-11-5-4-6-12-20)23-19-29-24-14-8-7-13-21(23)24/h4-8,11-14,19,22,29H,9-10,15-18H2,1-3H3,(H,30,33)(H,31,32)/t22-/m0/s1.
What are the key properties of 1-[2-(tert-butylamino)-2-oxoethyl]-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]cyclopentane-1-carboxamide?
1-[2-(tert-butylamino)-2-oxoethyl]-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]cyclopentane-1-carboxamide has a molecular weight of 445.61 g/mol, XLogP of 5.28, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)-2-oxoethyl]-N-[(2S)-2-(1H-indol-3-yl)-2-phenylethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 31818312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).