N-[2-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-4-ethylcyclohexane-1-carboxamide

C19H33N3O4 — CID 95718110

IUPACN-[2-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-4-ethylcyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NCC(=O)N2CCO[C@@]3(CNCCOC3)C2)CC1
InChIInChI=1S/C19H33N3O4/c1-2-15-3-5-16(6-4-15)18(24)21-11-17(23)22-8-10-26-19(13-22)12-20-7-9-25-14-19/h15-16,20H,2-14H2,1H3,(H,21,24)/t15?,16?,19-/m0/s1
InChIKeyZNHNEBSPLRARIM-RJYAGPCLSA-N
MW367.49 g/mol
LogP0.54
Rot. Bonds4

About N-[2-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-4-ethylcyclohexane-1-carboxamide

N-[2-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-4-ethylcyclohexane-1-carboxamide (PubChem CID 95718110) has the molecular formula C19H33N3O4 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-[2-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-4-ethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-4-ethylcyclohexane-1-carboxamide
PubChem CID95718110
Molecular FormulaC19H33N3O4
Molecular Weight367.49 g/mol
Exact Mass367.25
IUPAC NameN-[2-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-4-ethylcyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NCC(=O)N2CCO[C@@]3(CNCCOC3)C2)CC1
InChIInChI=1S/C19H33N3O4/c1-2-15-3-5-16(6-4-15)18(24)21-11-17(23)22-8-10-26-19(13-22)12-20-7-9-25-14-19/h15-16,20H,2-14H2,1H3,(H,21,24)/t15?,16?,19-/m0/s1
InChIKeyZNHNEBSPLRARIM-RJYAGPCLSA-N
XLogP0.54
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-methylpropan-1-one
CID 97494594
1-[4-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-4-oxobutyl]piperidin-2-one
CID 95724682
2-cyclopentyl-1-(1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)ethanone;hydrochloride
CID 155856169
N-[3-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-3-oxopropyl]-2-fluorobenzamide
CID 95728332
2-(benzotriazol-2-yl)-1-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]ethanone
CID 95722302
4-methyl-N-(2-oxo-2-piperazin-1-ylethyl)cyclohexane-1-carboxamide
CID 81478709
4-methyl-1-(5-oxa-2,8-diazaspiro[3.5]nonan-8-yl)pentan-1-one
CID 97399284
1-(1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-3-pyridin-3-ylpropan-1-one
CID 56884581
(3-chloro-2-fluorophenyl)-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]methanone
CID 95726443
1-[2-[(6R)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]quinolin-4-one
CID 95706811
N-(2-oxo-2-piperazin-1-ylethyl)cyclohexanecarboxamide;hydrochloride
CID 119260097
N-propan-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 118738752

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-4-ethylcyclohexane-1-carboxamide?
The IUPAC name of N-[2-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-4-ethylcyclohexane-1-carboxamide (CID 95718110) is N-[2-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-4-ethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-4-ethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[2-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-4-ethylcyclohexane-1-carboxamide is CCC1CCC(C(=O)NCC(=O)N2CCO[C@@]3(CNCCOC3)C2)CC1.
What is the InChIKey of N-[2-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-4-ethylcyclohexane-1-carboxamide?
The InChIKey is ZNHNEBSPLRARIM-RJYAGPCLSA-N. The full InChI is InChI=1S/C19H33N3O4/c1-2-15-3-5-16(6-4-15)18(24)21-11-17(23)22-8-10-26-19(13-22)12-20-7-9-25-14-19/h15-16,20H,2-14H2,1H3,(H,21,24)/t15?,16?,19-/m0/s1.
What are the key properties of N-[2-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-4-ethylcyclohexane-1-carboxamide?
N-[2-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-4-ethylcyclohexane-1-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6S)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-2-oxoethyl]-4-ethylcyclohexane-1-carboxamide is sourced from PubChem (CID 95718110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).