N-(2-amino-2-oxoethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide

C20H37N5O3 — CID 140516046

IUPACN-(2-amino-2-oxoethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide
SMILESCOC1CCC(C2CNC(NC3CCC(C(=O)NCC(N)=O)CC3)NC2)CC1
InChIInChI=1S/C20H37N5O3/c1-28-17-8-4-13(5-9-17)15-10-23-20(24-11-15)25-16-6-2-14(3-7-16)19(27)22-12-18(21)26/h13-17,20,23-25H,2-12H2,1H3,(H2,21,26)(H,22,27)
InChIKeyRYANWPMLBBESKA-UHFFFAOYSA-N
MW395.55 g/mol
LogP0.03
Rot. Bonds7

About N-(2-amino-2-oxoethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide

N-(2-amino-2-oxoethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide (PubChem CID 140516046) has the molecular formula C20H37N5O3 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide
PubChem CID140516046
Molecular FormulaC20H37N5O3
Molecular Weight395.55 g/mol
Exact Mass395.29
IUPAC NameN-(2-amino-2-oxoethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide
SMILESCOC1CCC(C2CNC(NC3CCC(C(=O)NCC(N)=O)CC3)NC2)CC1
InChIInChI=1S/C20H37N5O3/c1-28-17-8-4-13(5-9-17)15-10-23-20(24-11-15)25-16-6-2-14(3-7-16)19(27)22-12-18(21)26/h13-17,20,23-25H,2-12H2,1H3,(H2,21,26)(H,22,27)
InChIKeyRYANWPMLBBESKA-UHFFFAOYSA-N
XLogP0.03
TPSA117.51 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 50.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclohexyl-2-hydroxyethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide
CID 140515774
1-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexanecarbonyl]piperidine-4-carboxamide
CID 140515803
N-(3-imidazol-1-ylpropyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide
CID 140515752
1-[2-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]ethyl]piperidine-4-carboxamide
CID 140515938
4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]-N-(1,3,5-trimethylpyrazol-4-yl)cyclohexane-1-carboxamide
CID 140516048
tert-butyl 2-[[4-[2-[[4-[2-[bis(2-hydroxypropyl)amino]ethoxy]cyclohexyl]amino]-1,3-diazinan-5-yl]cyclohexanecarbonyl]amino]acetate
CID 140515813
[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 140516044
tert-butyl 2-[[4-[2-[[4-[2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethoxy]cyclohexyl]amino]-1,3-diazinan-5-yl]cyclohexanecarbonyl]amino]acetate
CID 140516021
5-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-2,2,3-trimethylpentanoic acid
CID 140541546
ethyl 2-[1-[2-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]ethyl]piperidin-4-yl]acetate
CID 140516163
methyl 2-[1-[2-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]ethyl]piperidin-4-yl]acetate
CID 140516012
N-[4-[2-(diethylamino)ethylsulfonyl]cyclohexyl]-5-(4-methoxycyclohexyl)-1,3-diazinan-2-amine
CID 140515827

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide (CID 140516046) is N-(2-amino-2-oxoethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide is COC1CCC(C2CNC(NC3CCC(C(=O)NCC(N)=O)CC3)NC2)CC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is RYANWPMLBBESKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O3/c1-28-17-8-4-13(5-9-17)15-10-23-20(24-11-15)25-16-6-2-14(3-7-16)19(27)22-12-18(21)26/h13-17,20,23-25H,2-12H2,1H3,(H2,21,26)(H,22,27).
What are the key properties of N-(2-amino-2-oxoethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide?
N-(2-amino-2-oxoethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 0.03, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 140516046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).