tert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate

C17H35N3O5 — CID 102239667

IUPACtert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate
SMILESCC(O)CN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H35N3O5/c1-13(21)12-20(10-8-18-14(22)24-16(2,3)4)11-9-19-15(23)25-17(5,6)7/h13,21H,8-12H2,1-7H3,(H,18,22)(H,19,23)
InChIKeyJUWTXFHTXLVIMF-UHFFFAOYSA-N
MW361.48 g/mol
LogP1.72
Rot. Bonds8

About tert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate

tert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate (PubChem CID 102239667) has the molecular formula C17H35N3O5 and a molecular weight of 361.48 g/mol. Its IUPAC name is tert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate
PubChem CID102239667
Molecular FormulaC17H35N3O5
Molecular Weight361.48 g/mol
Exact Mass361.26
IUPAC Nametert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate
SMILESCC(O)CN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H35N3O5/c1-13(21)12-20(10-8-18-14(22)24-16(2,3)4)11-9-19-15(23)25-17(5,6)7/h13,21H,8-12H2,1-7H3,(H,18,22)(H,19,23)
InChIKeyJUWTXFHTXLVIMF-UHFFFAOYSA-N
XLogP1.72
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[methoxy(methyl)amino]ethyl]carbamate
CID 123324286
tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
CID 134128297
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
tert-butyl N-[2-(diheptylamino)ethyl]carbamate
CID 86645270
tert-butyl N-[4-[4-[bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]butyl]carbamate
CID 170606638
tert-butyl N-[2-(2-hydroxypropylcarbamoylamino)ethyl]carbamate
CID 108864438
tert-butyl N-[2-(3-hydroxybutylamino)ethyl]carbamate
CID 115628927
tert-butyl N-[2-[methyl(methylsulfonyl)amino]ethyl]carbamate
CID 139270813
tert-butyl N-[3-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]carbamate
CID 59367237
tert-butyl N-(3,3-dihydroxypropyl)carbamate
CID 89159940
(2S)-6-[[(2S)-2-hydroxypropyl]-[(2R)-2-hydroxypropyl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 118606197
tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate (CID 102239667) is tert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate is CC(O)CN(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate?
The InChIKey is JUWTXFHTXLVIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O5/c1-13(21)12-20(10-8-18-14(22)24-16(2,3)4)11-9-19-15(23)25-17(5,6)7/h13,21H,8-12H2,1-7H3,(H,18,22)(H,19,23).
What are the key properties of tert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate?
tert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate has a molecular weight of 361.48 g/mol, XLogP of 1.72, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-hydroxypropyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate is sourced from PubChem (CID 102239667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).