1-hydroxypropan-2-yl N-[4-[[4-(1-hydroxypropan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate

C21H38N2O6 — CID 139648367

IUPAC1-hydroxypropan-2-yl N-[4-[[4-(1-hydroxypropan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
SMILESCC(CO)OC(=O)NC1CCC(CC2CCC(NC(=O)OC(C)CO)CC2)CC1
InChIInChI=1S/C21H38N2O6/c1-14(12-24)28-20(26)22-18-7-3-16(4-8-18)11-17-5-9-19(10-6-17)23-21(27)29-15(2)13-25/h14-19,24-25H,3-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeySVUGHOWNXSCHRN-UHFFFAOYSA-N
MW414.54 g/mol
LogP2.71
Rot. Bonds8

About 1-hydroxypropan-2-yl N-[4-[[4-(1-hydroxypropan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate

1-hydroxypropan-2-yl N-[4-[[4-(1-hydroxypropan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate (PubChem CID 139648367) has the molecular formula C21H38N2O6 and a molecular weight of 414.54 g/mol. Its IUPAC name is 1-hydroxypropan-2-yl N-[4-[[4-(1-hydroxypropan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Name1-hydroxypropan-2-yl N-[4-[[4-(1-hydroxypropan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
PubChem CID139648367
Molecular FormulaC21H38N2O6
Molecular Weight414.54 g/mol
Exact Mass414.27
IUPAC Name1-hydroxypropan-2-yl N-[4-[[4-(1-hydroxypropan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
SMILESCC(CO)OC(=O)NC1CCC(CC2CCC(NC(=O)OC(C)CO)CC2)CC1
InChIInChI=1S/C21H38N2O6/c1-14(12-24)28-20(26)22-18-7-3-16(4-8-18)11-17-5-9-19(10-6-17)23-21(27)29-15(2)13-25/h14-19,24-25H,3-13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeySVUGHOWNXSCHRN-UHFFFAOYSA-N
XLogP2.71
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.54
LogP ≤ 52.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-hydroxypropan-2-yl N-[4-[[4-(1-hydroxypropan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate with MolForge

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Related Compounds

amino N-[4-[[4-(aminooxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 126490326
methyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate
CID 54392444
methyl N-[4-(hydroperoxymethyl)cyclohexyl]carbamate
CID 20642197
1-bromopropan-2-yl N-cyclohexylcarbamate
CID 103970804
propan-2-yl N-cyclooctylcarbamate
CID 116653938
(4-methyl-3-oxopent-4-enyl) N-[4-[[4-[(4-methyl-3-oxopent-4-enoxy)carbonylamino]cyclohexyl]methyl]cyclohexyl]carbamate
CID 129070830
1-hydroxypropan-2-yl N-[3-[bis(cyclohexylamino)methylideneamino]propyl]carbamate
CID 134346392
methyl N-[4-[[4-(hexoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 170941393
1-(dimethylamino)-3-[4-[[4-(dimethylaminocarbamoylamino)cyclohexyl]methyl]cyclohexyl]urea
CID 12035238
methyl N-[4-(2,2-dimethylpropyl)cyclohexyl]carbamate
CID 168760317
4-[[4-[[4-(methoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamoyloxy]-2-methylidenebutanoic acid
CID 154976396
2-(dibutylamino)ethyl N-[4-(cyclohexylmethyl)cyclohexyl]carbamate
CID 71191343

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropan-2-yl N-[4-[[4-(1-hydroxypropan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
The IUPAC name of 1-hydroxypropan-2-yl N-[4-[[4-(1-hydroxypropan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate (CID 139648367) is 1-hydroxypropan-2-yl N-[4-[[4-(1-hydroxypropan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate.
What is the SMILES notation for 1-hydroxypropan-2-yl N-[4-[[4-(1-hydroxypropan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
The canonical SMILES for 1-hydroxypropan-2-yl N-[4-[[4-(1-hydroxypropan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate is CC(CO)OC(=O)NC1CCC(CC2CCC(NC(=O)OC(C)CO)CC2)CC1.
What is the InChIKey of 1-hydroxypropan-2-yl N-[4-[[4-(1-hydroxypropan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
The InChIKey is SVUGHOWNXSCHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O6/c1-14(12-24)28-20(26)22-18-7-3-16(4-8-18)11-17-5-9-19(10-6-17)23-21(27)29-15(2)13-25/h14-19,24-25H,3-13H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 1-hydroxypropan-2-yl N-[4-[[4-(1-hydroxypropan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
1-hydroxypropan-2-yl N-[4-[[4-(1-hydroxypropan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate has a molecular weight of 414.54 g/mol, XLogP of 2.71, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropan-2-yl N-[4-[[4-(1-hydroxypropan-2-yloxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate is sourced from PubChem (CID 139648367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).