N-[(1S)-1-cyclohexyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C26H38N4O2 — CID 44599520

IUPACN-[(1S)-1-cyclohexyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(N[C@H](C(=O)N[C@@H]1CCc2ccccc21)C1CCCCC1)C1CC2(CCNCC2)CN1
InChIInChI=1S/C26H38N4O2/c31-24(22-16-26(17-28-22)12-14-27-15-13-26)30-23(19-7-2-1-3-8-19)25(32)29-21-11-10-18-6-4-5-9-20(18)21/h4-6,9,19,21-23,27-28H,1-3,7-8,10-17H2,(H,29,32)(H,30,31)/t21-,22?,23+/m1/s1
InChIKeyVFOUXJKLTWAPFO-CTDXOEGXSA-N
MW438.62 g/mol
LogP2.59
Rot. Bonds5

About N-[(1S)-1-cyclohexyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

N-[(1S)-1-cyclohexyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 44599520) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is N-[(1S)-1-cyclohexyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclohexyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID44599520
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC NameN-[(1S)-1-cyclohexyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESO=C(N[C@H](C(=O)N[C@@H]1CCc2ccccc21)C1CCCCC1)C1CC2(CCNCC2)CN1
InChIInChI=1S/C26H38N4O2/c31-24(22-16-26(17-28-22)12-14-27-15-13-26)30-23(19-7-2-1-3-8-19)25(32)29-21-11-10-18-6-4-5-9-20(18)21/h4-6,9,19,21-23,27-28H,1-3,7-8,10-17H2,(H,29,32)(H,30,31)/t21-,22?,23+/m1/s1
InChIKeyVFOUXJKLTWAPFO-CTDXOEGXSA-N
XLogP2.59
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-cyclohexyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide with MolForge

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Related Compounds

(2S,4R)-1-(2,8-diazaspiro[4.5]decane-3-carbonyl)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-4-phenylpyrrolidine-2-carboxamide
CID 140568127
cyclohexane;2,8-diazaspiro[4.5]decane;(2S)-N-(2,3-dihydro-1H-inden-1-yl)-1-formylpyrrolidine-2-carboxamide
CID 143912780
N-(2,3-dihydro-1H-inden-1-yl)pyrrolidine-2-carboxamide
CID 42885854
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazine-2-carboxamide
CID 141153564
N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-3-ylbutanamide
CID 81047550
N-(2,3-dihydro-1H-inden-1-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120619174
N-(2,3-dihydro-1H-inden-1-yl)cyclobutanecarboxamide
CID 47129715
N-(2,3-dihydro-1H-inden-1-yl)-2-hydroxy-2-phenylacetamide
CID 110882312
N-(2,3-dihydro-1H-inden-1-yl)-2-piperidin-4-ylacetamide
CID 54910439
(2R)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-2-carboxamide
CID 59415524
1-cyclobutyl-3-(2,3-dihydro-1H-inden-1-yl)urea
CID 113233184
4-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 119674476

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclohexyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N-[(1S)-1-cyclohexyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 44599520) is N-[(1S)-1-cyclohexyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclohexyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclohexyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is O=C(N[C@H](C(=O)N[C@@H]1CCc2ccccc21)C1CCCCC1)C1CC2(CCNCC2)CN1.
What is the InChIKey of N-[(1S)-1-cyclohexyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is VFOUXJKLTWAPFO-CTDXOEGXSA-N. The full InChI is InChI=1S/C26H38N4O2/c31-24(22-16-26(17-28-22)12-14-27-15-13-26)30-23(19-7-2-1-3-8-19)25(32)29-21-11-10-18-6-4-5-9-20(18)21/h4-6,9,19,21-23,27-28H,1-3,7-8,10-17H2,(H,29,32)(H,30,31)/t21-,22?,23+/m1/s1.
What are the key properties of N-[(1S)-1-cyclohexyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
N-[(1S)-1-cyclohexyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 438.62 g/mol, XLogP of 2.59, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclohexyl-2-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 44599520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).