(4S)-N-[(1R)-1-naphthalen-2-ylethyl]spiro[4.5]decane-4-carboxamide

C23H29NO — CID 59074949

IUPAC(4S)-N-[(1R)-1-naphthalen-2-ylethyl]spiro[4.5]decane-4-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CCCC12CCCCC2)c1ccc2ccccc2c1
InChIInChI=1S/C23H29NO/c1-17(19-12-11-18-8-3-4-9-20(18)16-19)24-22(25)21-10-7-15-23(21)13-5-2-6-14-23/h3-4,8-9,11-12,16-17,21H,2,5-7,10,13-15H2,1H3,(H,24,25)/t17-,21-/m1/s1
InChIKeyHSAMYWLCLAGDMS-DYESRHJHSA-N
MW335.49 g/mol
LogP5.77
Rot. Bonds3

About (4S)-N-[(1R)-1-naphthalen-2-ylethyl]spiro[4.5]decane-4-carboxamide

(4S)-N-[(1R)-1-naphthalen-2-ylethyl]spiro[4.5]decane-4-carboxamide (PubChem CID 59074949) has the molecular formula C23H29NO and a molecular weight of 335.49 g/mol. Its IUPAC name is (4S)-N-[(1R)-1-naphthalen-2-ylethyl]spiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(1R)-1-naphthalen-2-ylethyl]spiro[4.5]decane-4-carboxamide
PubChem CID59074949
Molecular FormulaC23H29NO
Molecular Weight335.49 g/mol
Exact Mass335.22
IUPAC Name(4S)-N-[(1R)-1-naphthalen-2-ylethyl]spiro[4.5]decane-4-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CCCC12CCCCC2)c1ccc2ccccc2c1
InChIInChI=1S/C23H29NO/c1-17(19-12-11-18-8-3-4-9-20(18)16-19)24-22(25)21-10-7-15-23(21)13-5-2-6-14-23/h3-4,8-9,11-12,16-17,21H,2,5-7,10,13-15H2,1H3,(H,24,25)/t17-,21-/m1/s1
InChIKeyHSAMYWLCLAGDMS-DYESRHJHSA-N
XLogP5.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.49
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dichloro-N-(1-naphthalen-2-ylethyl)cyclopropane-1-carboxamide
CID 78776325
benzyl (4R)-4-[[(1R)-1-naphthalen-2-ylethyl]carbamoyl]-2-azaspiro[4.5]decane-2-carboxylate
CID 12042829
(2S)-1-methyl-N-[(1R)-1-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide
CID 90114971
1-cyclopentyl-3-[(1R)-1-naphthalen-2-ylethyl]urea
CID 29026952
(2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide
CID 899685
(2S)-2-methyl-N-(1-naphthalen-2-ylethyl)pyrrolidine-2-carboxamide
CID 141351308
(3S)-N-[(1S)-1-naphthalen-2-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 95352112
2-(cyclopropylmethylamino)-N-(1-naphthalen-2-ylethyl)acetamide;hydrochloride
CID 119685956
N-(1-naphthalen-2-ylethyl)cyclohexanamine
CID 43080679
tert-butyl N-(1-naphthalen-2-ylethyl)carbamate
CID 70974235
N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 101382734
N-[(1R)-1-naphthalen-2-ylethyl]-2,2-diphenylacetamide
CID 7899729

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1R)-1-naphthalen-2-ylethyl]spiro[4.5]decane-4-carboxamide?
The IUPAC name of (4S)-N-[(1R)-1-naphthalen-2-ylethyl]spiro[4.5]decane-4-carboxamide (CID 59074949) is (4S)-N-[(1R)-1-naphthalen-2-ylethyl]spiro[4.5]decane-4-carboxamide.
What is the SMILES notation for (4S)-N-[(1R)-1-naphthalen-2-ylethyl]spiro[4.5]decane-4-carboxamide?
The canonical SMILES for (4S)-N-[(1R)-1-naphthalen-2-ylethyl]spiro[4.5]decane-4-carboxamide is C[C@@H](NC(=O)[C@H]1CCCC12CCCCC2)c1ccc2ccccc2c1.
What is the InChIKey of (4S)-N-[(1R)-1-naphthalen-2-ylethyl]spiro[4.5]decane-4-carboxamide?
The InChIKey is HSAMYWLCLAGDMS-DYESRHJHSA-N. The full InChI is InChI=1S/C23H29NO/c1-17(19-12-11-18-8-3-4-9-20(18)16-19)24-22(25)21-10-7-15-23(21)13-5-2-6-14-23/h3-4,8-9,11-12,16-17,21H,2,5-7,10,13-15H2,1H3,(H,24,25)/t17-,21-/m1/s1.
What are the key properties of (4S)-N-[(1R)-1-naphthalen-2-ylethyl]spiro[4.5]decane-4-carboxamide?
(4S)-N-[(1R)-1-naphthalen-2-ylethyl]spiro[4.5]decane-4-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(1R)-1-naphthalen-2-ylethyl]spiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 59074949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).