methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate

C17H30N4O5 — CID 144980876

IUPACmethyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(NC(=O)NC2CCC(NC(=O)OC)CC2)CC1
InChIInChI=1S/C17H30N4O5/c1-25-16(23)20-13-7-3-11(4-8-13)18-15(22)19-12-5-9-14(10-6-12)21-17(24)26-2/h11-14H,3-10H2,1-2H3,(H,20,23)(H,21,24)(H2,18,19,22)
InChIKeyVYCRPDBOELLJKQ-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.62
Rot. Bonds4

About methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate

methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate (PubChem CID 144980876) has the molecular formula C17H30N4O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
PubChem CID144980876
Molecular FormulaC17H30N4O5
Molecular Weight370.45 g/mol
Exact Mass370.22
IUPAC Namemethyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(NC(=O)NC2CCC(NC(=O)OC)CC2)CC1
InChIInChI=1S/C17H30N4O5/c1-25-16(23)20-13-7-3-11(4-8-13)18-15(22)19-12-5-9-14(10-6-12)21-17(24)26-2/h11-14H,3-10H2,1-2H3,(H,20,23)(H,21,24)(H2,18,19,22)
InChIKeyVYCRPDBOELLJKQ-UHFFFAOYSA-N
XLogP1.62
TPSA117.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[4-[[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]carbamoylamino]cyclohexyl]carbamate
CID 144980905
methyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653640
methyl N-(cyclopropylcarbamoylamino)carbamate
CID 131203587
methyl N-cyclohexadecylcarbamate
CID 131977131
methyl N-(4-methoxycyclohexyl)carbamate;hydrochloride
CID 67267082
methyl N-(4-tert-butylcyclohexyl)carbamate
CID 58394494
methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate
CID 168760317
methyl N-[4-(hydroperoxymethyl)cyclohexyl]carbamate
CID 20642197
methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate
CID 54392444
methyl N-[(1S,3R)-3-iodocyclopentyl]carbamate
CID 89493028
methyl N-[(3S)-3-acetylcyclopentyl]carbamate
CID 89494881
methyl N-(3-acetylcyclopentyl)carbamate
CID 77342525

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate?
The IUPAC name of methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate (CID 144980876) is methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate.
What is the SMILES notation for methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate?
The canonical SMILES for methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate is COC(=O)NC1CCC(NC(=O)NC2CCC(NC(=O)OC)CC2)CC1.
What is the InChIKey of methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate?
The InChIKey is VYCRPDBOELLJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O5/c1-25-16(23)20-13-7-3-11(4-8-13)18-15(22)19-12-5-9-14(10-6-12)21-17(24)26-2/h11-14H,3-10H2,1-2H3,(H,20,23)(H,21,24)(H2,18,19,22).
What are the key properties of methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate?
methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate has a molecular weight of 370.45 g/mol, XLogP of 1.62, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]carbamoylamino]cyclohexyl]carbamate is sourced from PubChem (CID 144980876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).