tert-butyl N-[1-[2-methoxyethyl(methyl)amino]ethyl]carbamate

C11H24N2O3 — CID 167208112

IUPACtert-butyl N-[1-[2-methoxyethyl(methyl)amino]ethyl]carbamate
SMILESCOCCN(C)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O3/c1-9(13(5)7-8-15-6)12-10(14)16-11(2,3)4/h9H,7-8H2,1-6H3,(H,12,14)
InChIKeyDDFSCZHFXBDTBO-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.44
Rot. Bonds5

About tert-butyl N-[1-[2-methoxyethyl(methyl)amino]ethyl]carbamate

tert-butyl N-[1-[2-methoxyethyl(methyl)amino]ethyl]carbamate (PubChem CID 167208112) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is tert-butyl N-[1-[2-methoxyethyl(methyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-methoxyethyl(methyl)amino]ethyl]carbamate
PubChem CID167208112
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Nametert-butyl N-[1-[2-methoxyethyl(methyl)amino]ethyl]carbamate
SMILESCOCCN(C)C(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O3/c1-9(13(5)7-8-15-6)12-10(14)16-11(2,3)4/h9H,7-8H2,1-6H3,(H,12,14)
InChIKeyDDFSCZHFXBDTBO-UHFFFAOYSA-N
XLogP1.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937
tert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate
CID 87494634
tert-butyl N-[1-(1-methoxypropan-2-ylamino)propan-2-yl]carbamate
CID 107247678
tert-butyl N-[1-hydroxy-1-(methoxymethylamino)propan-2-yl]carbamate
CID 141468763
tert-butyl N-[(2S)-1-(methoxymethoxy)propan-2-yl]carbamate
CID 177407603
tert-butyl N-[(2R,3R)-3-amino-1-methoxybutan-2-yl]carbamate
CID 131733528
tert-butyl N-[(2S)-1-[2-methoxyethyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 67385223
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
CID 46941495
tert-butyl N-[4-(2-methoxypropan-2-yloxy)butan-2-yl]carbamate
CID 143288950
2-[2-methoxyethyl(methyl)amino]-3,3-dimethylbutanoic acid
CID 175562257

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-methoxyethyl(methyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-methoxyethyl(methyl)amino]ethyl]carbamate (CID 167208112) is tert-butyl N-[1-[2-methoxyethyl(methyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-methoxyethyl(methyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-methoxyethyl(methyl)amino]ethyl]carbamate is COCCN(C)C(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[2-methoxyethyl(methyl)amino]ethyl]carbamate?
The InChIKey is DDFSCZHFXBDTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-9(13(5)7-8-15-6)12-10(14)16-11(2,3)4/h9H,7-8H2,1-6H3,(H,12,14).
What are the key properties of tert-butyl N-[1-[2-methoxyethyl(methyl)amino]ethyl]carbamate?
tert-butyl N-[1-[2-methoxyethyl(methyl)amino]ethyl]carbamate has a molecular weight of 232.32 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-methoxyethyl(methyl)amino]ethyl]carbamate is sourced from PubChem (CID 167208112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).