tert-butyl N,N-bis(2-hydroxypentyl)carbamate

C15H31NO4 — CID 165352440

IUPACtert-butyl N,N-bis(2-hydroxypentyl)carbamate
SMILESCCCC(O)CN(CC(O)CCC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H31NO4/c1-6-8-12(17)10-16(11-13(18)9-7-2)14(19)20-15(3,4)5/h12-13,17-18H,6-11H2,1-5H3
InChIKeyREYMAIGNHDZXDL-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.55
Rot. Bonds8

About tert-butyl N,N-bis(2-hydroxypentyl)carbamate

tert-butyl N,N-bis(2-hydroxypentyl)carbamate (PubChem CID 165352440) has the molecular formula C15H31NO4 and a molecular weight of 289.42 g/mol. Its IUPAC name is tert-butyl N,N-bis(2-hydroxypentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N,N-bis(2-hydroxypentyl)carbamate
PubChem CID165352440
Molecular FormulaC15H31NO4
Molecular Weight289.42 g/mol
Exact Mass289.23
IUPAC Nametert-butyl N,N-bis(2-hydroxypentyl)carbamate
SMILESCCCC(O)CN(CC(O)CCC)C(=O)OC(C)(C)C
InChIInChI=1S/C15H31NO4/c1-6-8-12(17)10-16(11-13(18)9-7-2)14(19)20-15(3,4)5/h12-13,17-18H,6-11H2,1-5H3
InChIKeyREYMAIGNHDZXDL-UHFFFAOYSA-N
XLogP2.55
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-hydroxybutyl)-N-(2-hydroxyethyl)carbamate
CID 140978282
tert-butyl N-ethyl-N-[(3R)-3-hydroxypentyl]carbamate
CID 89169679
tert-butyl N-(2-hydroxypropyl)-N-pentan-2-ylcarbamate
CID 162438546
tert-butyl N-methyl-N-[(2S)-pentan-2-yl]carbamate
CID 141142694
tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate
CID 142297238
tert-butyl N-[2-hydroxy-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]-N-methylcarbamate
CID 22485464
tert-butyl N-[(2R)-2-(difluoromethoxy)propyl]-N-[(2S)-2,3-dihydroxypropyl]carbamate
CID 163209491
tert-butyl N-(2,2-dihydroxyethyl)-N-(2,2-dimethylpropyl)carbamate
CID 143525018
tert-butyl N-ethyl-N-(2-methylbutyl)carbamate
CID 79470192
tert-butyl N-(2-aminohexyl)-N-butylcarbamate
CID 163596345
tert-butyl N-[2-[[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]methyl]nonyl]-N-pentylcarbamate
CID 142044544
tert-butyl N,N-dipentylcarbamate
CID 65142743

Frequently Asked Questions

What is the IUPAC name of tert-butyl N,N-bis(2-hydroxypentyl)carbamate?
The IUPAC name of tert-butyl N,N-bis(2-hydroxypentyl)carbamate (CID 165352440) is tert-butyl N,N-bis(2-hydroxypentyl)carbamate.
What is the SMILES notation for tert-butyl N,N-bis(2-hydroxypentyl)carbamate?
The canonical SMILES for tert-butyl N,N-bis(2-hydroxypentyl)carbamate is CCCC(O)CN(CC(O)CCC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N,N-bis(2-hydroxypentyl)carbamate?
The InChIKey is REYMAIGNHDZXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4/c1-6-8-12(17)10-16(11-13(18)9-7-2)14(19)20-15(3,4)5/h12-13,17-18H,6-11H2,1-5H3.
What are the key properties of tert-butyl N,N-bis(2-hydroxypentyl)carbamate?
tert-butyl N,N-bis(2-hydroxypentyl)carbamate has a molecular weight of 289.42 g/mol, XLogP of 2.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N,N-bis(2-hydroxypentyl)carbamate is sourced from PubChem (CID 165352440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).