tert-butyl N-cyclohexyl-N-[2-[4-hydroxypentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate

C23H44N2O5 — CID 139937632

IUPACtert-butyl N-cyclohexyl-N-[2-[4-hydroxypentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
SMILESCC(O)CCCN(CCN(C(=O)OC(C)(C)C)C1CCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H44N2O5/c1-18(26)12-11-15-24(20(27)29-22(2,3)4)16-17-25(19-13-9-8-10-14-19)21(28)30-23(5,6)7/h18-19,26H,8-17H2,1-7H3
InChIKeyRXZWASPPBBXDDN-UHFFFAOYSA-N
MW428.61 g/mol
LogP4.95
Rot. Bonds8

About tert-butyl N-cyclohexyl-N-[2-[4-hydroxypentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate

tert-butyl N-cyclohexyl-N-[2-[4-hydroxypentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate (PubChem CID 139937632) has the molecular formula C23H44N2O5 and a molecular weight of 428.61 g/mol. Its IUPAC name is tert-butyl N-cyclohexyl-N-[2-[4-hydroxypentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclohexyl-N-[2-[4-hydroxypentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
PubChem CID139937632
Molecular FormulaC23H44N2O5
Molecular Weight428.61 g/mol
Exact Mass428.33
IUPAC Nametert-butyl N-cyclohexyl-N-[2-[4-hydroxypentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
SMILESCC(O)CCCN(CCN(C(=O)OC(C)(C)C)C1CCCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C23H44N2O5/c1-18(26)12-11-15-24(20(27)29-22(2,3)4)16-17-25(19-13-9-8-10-14-19)21(28)30-23(5,6)7/h18-19,26H,8-17H2,1-7H3
InChIKeyRXZWASPPBBXDDN-UHFFFAOYSA-N
XLogP4.95
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.61
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-cyclohexyl-N-[2-[4-hydroxypentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-cyclohexyl-N-[3-[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]propyl]carbamate
CID 135248450
ethyl 4-[3-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 135248445
tert-butyl N-(2-aminopropyl)-N-(4-hydroxypentyl)carbamate
CID 87126598
tert-butyl N-(2-aminopropyl)-N-[(4S)-4-hydroxypentyl]carbamate
CID 87126597
tert-butyl N-cyclobutyl-N-(3-hydroxypropyl)carbamate
CID 22397314
tert-butyl N-(4-hydroxypentyl)-N-methylcarbamate
CID 23122203
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
tert-butyl N-cycloheptyl-N-[2-(pentan-3-ylamino)ethyl]carbamate
CID 107251904
tert-butyl N-cyclohexyl-N-[2-(trioxidanylsulfanyl)ethyl]carbamate
CID 58676250
tert-butyl N-butyl-N-cyclopropylcarbamate
CID 63788161
2-[2-[2-[2-[2-[2-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl methanesulfonate
CID 177239965
tert-butyl N-[3-[2-(aminomethyl)-1,3-oxazol-4-yl]propyl]-N-[3-[cyclohexyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]carbamate
CID 135231781

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclohexyl-N-[2-[4-hydroxypentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-cyclohexyl-N-[2-[4-hydroxypentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate (CID 139937632) is tert-butyl N-cyclohexyl-N-[2-[4-hydroxypentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-cyclohexyl-N-[2-[4-hydroxypentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-cyclohexyl-N-[2-[4-hydroxypentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate is CC(O)CCCN(CCN(C(=O)OC(C)(C)C)C1CCCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-cyclohexyl-N-[2-[4-hydroxypentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate?
The InChIKey is RXZWASPPBBXDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N2O5/c1-18(26)12-11-15-24(20(27)29-22(2,3)4)16-17-25(19-13-9-8-10-14-19)21(28)30-23(5,6)7/h18-19,26H,8-17H2,1-7H3.
What are the key properties of tert-butyl N-cyclohexyl-N-[2-[4-hydroxypentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate?
tert-butyl N-cyclohexyl-N-[2-[4-hydroxypentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate has a molecular weight of 428.61 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclohexyl-N-[2-[4-hydroxypentyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate is sourced from PubChem (CID 139937632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).