tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate

C12H24N2O4 — CID 155275245

IUPACtert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate
SMILESCCOCCC(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O4/c1-5-17-9-6-10(15)13-7-8-14-11(16)18-12(2,3)4/h5-9H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyONHJJOFLBFKLER-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.05
Rot. Bonds7

About tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate

tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate (PubChem CID 155275245) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate
PubChem CID155275245
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Nametert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate
SMILESCCOCCC(=O)NCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H24N2O4/c1-5-17-9-6-10(15)13-7-8-14-11(16)18-12(2,3)4/h5-9H2,1-4H3,(H,13,15)(H,14,16)
InChIKeyONHJJOFLBFKLER-UHFFFAOYSA-N
XLogP1.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(butanoylamino)ethyl]carbamate
CID 88931890
tert-butyl N-(3-ethoxypropyl)carbamate
CID 63787963
tert-butyl N-[3-[3-[2-amino-3-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-3-oxopropoxy]-2-[[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]-3-oxopropoxy]methyl]propoxy]propanoylamino]propyl]carbamate
CID 126498529
tert-butyl N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]carbamate;molecular hydrogen
CID 177223683
4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid
CID 167337700
tert-butyl N-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 87598465
3-ethoxy-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109921
tert-butyl N-[2-[2-(3-methoxypropanoylamino)ethylamino]-2-oxoethyl]carbamate
CID 108537162
(2R)-N-[2-(3-ethoxypropanoylamino)ethyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 121329384
tert-butyl N-[2-[2-[3-[3-[2-[3-[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]-2,2-bis[2-[3-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]propanoylamino]propoxy]ethoxymethyl]propoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethyl]carbamate
CID 58011178
tert-butyl N-[2-(4-phosphanylbutanoylamino)ethyl]carbamate
CID 90445538
tert-butyl N-[5-(butanoylamino)pentyl]carbamate
CID 90324113

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate (CID 155275245) is tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate is CCOCCC(=O)NCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate?
The InChIKey is ONHJJOFLBFKLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-5-17-9-6-10(15)13-7-8-14-11(16)18-12(2,3)4/h5-9H2,1-4H3,(H,13,15)(H,14,16).
What are the key properties of tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate?
tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate has a molecular weight of 260.33 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-ethoxypropanoylamino)ethyl]carbamate is sourced from PubChem (CID 155275245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).