2-amino-N-[(1R)-1-(4-ethylphenyl)ethyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

C18H25N5O2 — CID 126444214

IUPAC2-amino-N-[(1R)-1-(4-ethylphenyl)ethyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCCc1ccc([C@@H](C)NC(=O)N2CCC3(CC2)N=C(N)NC3=O)cc1
InChIInChI=1S/C18H25N5O2/c1-3-13-4-6-14(7-5-13)12(2)20-17(25)23-10-8-18(9-11-23)15(24)21-16(19)22-18/h4-7,12H,3,8-11H2,1-2H3,(H,20,25)(H3,19,21,22,24)/t12-/m1/s1
InChIKeyXSGMYKUVLYOITB-GFCCVEGCSA-N
MW343.43 g/mol
LogP1.30
Rot. Bonds3

About 2-amino-N-[(1R)-1-(4-ethylphenyl)ethyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide

2-amino-N-[(1R)-1-(4-ethylphenyl)ethyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (PubChem CID 126444214) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-amino-N-[(1R)-1-(4-ethylphenyl)ethyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R)-1-(4-ethylphenyl)ethyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
PubChem CID126444214
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-amino-N-[(1R)-1-(4-ethylphenyl)ethyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
SMILESCCc1ccc([C@@H](C)NC(=O)N2CCC3(CC2)N=C(N)NC3=O)cc1
InChIInChI=1S/C18H25N5O2/c1-3-13-4-6-14(7-5-13)12(2)20-17(25)23-10-8-18(9-11-23)15(24)21-16(19)22-18/h4-7,12H,3,8-11H2,1-2H3,(H,20,25)(H3,19,21,22,24)/t12-/m1/s1
InChIKeyXSGMYKUVLYOITB-GFCCVEGCSA-N
XLogP1.30
TPSA99.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-ethylphenyl)ethyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 126432772
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N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
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N-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
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2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
CID 40939205
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 41046411
2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide
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3-[1-(4-ethylphenyl)ethylamino]-3-oxopropanoic acid
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CID 94647353

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R)-1-(4-ethylphenyl)ethyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The IUPAC name of 2-amino-N-[(1R)-1-(4-ethylphenyl)ethyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide (CID 126444214) is 2-amino-N-[(1R)-1-(4-ethylphenyl)ethyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R)-1-(4-ethylphenyl)ethyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The canonical SMILES for 2-amino-N-[(1R)-1-(4-ethylphenyl)ethyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is CCc1ccc([C@@H](C)NC(=O)N2CCC3(CC2)N=C(N)NC3=O)cc1.
What is the InChIKey of 2-amino-N-[(1R)-1-(4-ethylphenyl)ethyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
The InChIKey is XSGMYKUVLYOITB-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-13-4-6-14(7-5-13)12(2)20-17(25)23-10-8-18(9-11-23)15(24)21-16(19)22-18/h4-7,12H,3,8-11H2,1-2H3,(H,20,25)(H3,19,21,22,24)/t12-/m1/s1.
What are the key properties of 2-amino-N-[(1R)-1-(4-ethylphenyl)ethyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide?
2-amino-N-[(1R)-1-(4-ethylphenyl)ethyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.30, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R)-1-(4-ethylphenyl)ethyl]-4-oxo-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide is sourced from PubChem (CID 126444214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).