N-[(1R)-1-(4-methylphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide

C17H24N2O — CID 81355599

IUPACN-[(1R)-1-(4-methylphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)C2CC23CCNCC3)cc1
InChIInChI=1S/C17H24N2O/c1-12-3-5-14(6-4-12)13(2)19-16(20)15-11-17(15)7-9-18-10-8-17/h3-6,13,15,18H,7-11H2,1-2H3,(H,19,20)/t13-,15?/m1/s1
InChIKeyLTXQVSQVMSLSSI-AFYYWNPRSA-N
MW272.39 g/mol
LogP2.56
Rot. Bonds3

About N-[(1R)-1-(4-methylphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide

N-[(1R)-1-(4-methylphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 81355599) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID81355599
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[(1R)-1-(4-methylphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1ccc([C@@H](C)NC(=O)C2CC23CCNCC3)cc1
InChIInChI=1S/C17H24N2O/c1-12-3-5-14(6-4-12)13(2)19-16(20)15-11-17(15)7-9-18-10-8-17/h3-6,13,15,18H,7-11H2,1-2H3,(H,19,20)/t13-,15?/m1/s1
InChIKeyLTXQVSQVMSLSSI-AFYYWNPRSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-pyridin-3-ylethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 81404563
(2R)-N-[(1R)-1-phenylethyl]spiro[2.3]hexane-2-carboxamide
CID 899685
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 112547935
N-[(1R)-1-(4-methylphenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81348727
2-[4-[1-(spiro[2.2]pentane-2-carbonylamino)ethyl]phenoxy]acetic acid
CID 122109303
(3R)-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81355974
(2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102944580
N-[(1R)-1-cyclohexylethyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 81386078
(2S)-N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81356074
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81355839
propan-2-yl (3R)-3-[[(2S)-6-azaspiro[2.5]octane-2-carbonyl]amino]-3-phenylpropanoate
CID 99640689
N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-2-carboxamide
CID 81355602

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide (CID 81355599) is N-[(1R)-1-(4-methylphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide is Cc1ccc([C@@H](C)NC(=O)C2CC23CCNCC3)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is LTXQVSQVMSLSSI-AFYYWNPRSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-3-5-14(6-4-12)13(2)19-16(20)15-11-17(15)7-9-18-10-8-17/h3-6,13,15,18H,7-11H2,1-2H3,(H,19,20)/t13-,15?/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide?
N-[(1R)-1-(4-methylphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)ethyl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 81355599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).