tert-butyl N-[2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate

C16H33N3O4 — CID 107442662

IUPACtert-butyl N-[2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate
SMILESCOCCNC(=O)CNCC(CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C16H33N3O4/c1-12(2)13(10-19-15(21)23-16(3,4)5)9-17-11-14(20)18-7-8-22-6/h12-13,17H,7-11H2,1-6H3,(H,18,20)(H,19,21)
InChIKeyHFNQDTGARMFHKD-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.14
Rot. Bonds10

About tert-butyl N-[2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate

tert-butyl N-[2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate (PubChem CID 107442662) has the molecular formula C16H33N3O4 and a molecular weight of 331.46 g/mol. Its IUPAC name is tert-butyl N-[2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate
PubChem CID107442662
Molecular FormulaC16H33N3O4
Molecular Weight331.46 g/mol
Exact Mass331.25
IUPAC Nametert-butyl N-[2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate
SMILESCOCCNC(=O)CNCC(CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C16H33N3O4/c1-12(2)13(10-19-15(21)23-16(3,4)5)9-17-11-14(20)18-7-8-22-6/h12-13,17H,7-11H2,1-6H3,(H,18,20)(H,19,21)
InChIKeyHFNQDTGARMFHKD-UHFFFAOYSA-N
XLogP1.14
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[[[2-(tert-butylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate
CID 107442562
tert-butyl N-[2-[[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate
CID 126816079
tert-butyl N-[2-[(2,3-dimethylbutylamino)methyl]-3-methylbutyl]carbamate
CID 107442310
tert-butyl N-[2-[[(2-hydroxy-3-methylbutyl)amino]methyl]-3-methylbutyl]carbamate
CID 107442782
tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate
CID 103390878
tert-butyl N-[3-methyl-2-[(4-methylpentylamino)methyl]butyl]carbamate
CID 107441983
tert-butyl 3-[[2-(2-methoxyethylamino)-2-oxoethyl]amino]propanoate
CID 103263911
tert-butyl N-[3-methyl-2-[(3-methylsulfanylpropylamino)methyl]butyl]carbamate
CID 107442261
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
tert-butyl N-[3-methyl-2-[[3-(2-methylpropoxy)propylamino]methyl]butyl]carbamate
CID 107441225
N-(2-methoxyethyl)-2-[[2-(2-methylpropylamino)-2-oxoethyl]amino]acetamide
CID 112683626
tert-butyl N-[2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]propyl]carbamate
CID 103390858

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate (CID 107442662) is tert-butyl N-[2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate is COCCNC(=O)CNCC(CNC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate?
The InChIKey is HFNQDTGARMFHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O4/c1-12(2)13(10-19-15(21)23-16(3,4)5)9-17-11-14(20)18-7-8-22-6/h12-13,17H,7-11H2,1-6H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate?
tert-butyl N-[2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate has a molecular weight of 331.46 g/mol, XLogP of 1.14, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]-3-methylbutyl]carbamate is sourced from PubChem (CID 107442662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).