tert-butyl N-[1-cyclohexyl-2-[ethyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate

C18H35N3O3 — CID 176580768

IUPACtert-butyl N-[1-cyclohexyl-2-[ethyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate
SMILESCCN(CCNC)C(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C18H35N3O3/c1-6-21(13-12-19-5)16(22)15(14-10-8-7-9-11-14)20-17(23)24-18(2,3)4/h14-15,19H,6-13H2,1-5H3,(H,20,23)
InChIKeyZDYLNTOAHMPTHG-UHFFFAOYSA-N
MW341.50 g/mol
LogP2.53
Rot. Bonds7

About tert-butyl N-[1-cyclohexyl-2-[ethyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate

tert-butyl N-[1-cyclohexyl-2-[ethyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate (PubChem CID 176580768) has the molecular formula C18H35N3O3 and a molecular weight of 341.50 g/mol. Its IUPAC name is tert-butyl N-[1-cyclohexyl-2-[ethyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-cyclohexyl-2-[ethyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate
PubChem CID176580768
Molecular FormulaC18H35N3O3
Molecular Weight341.50 g/mol
Exact Mass341.27
IUPAC Nametert-butyl N-[1-cyclohexyl-2-[ethyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate
SMILESCCN(CCNC)C(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C18H35N3O3/c1-6-21(13-12-19-5)16(22)15(14-10-8-7-9-11-14)20-17(23)24-18(2,3)4/h14-15,19H,6-13H2,1-5H3,(H,20,23)
InChIKeyZDYLNTOAHMPTHG-UHFFFAOYSA-N
XLogP2.53
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S)-1-cyclopentyl-2-fluoro-2-oxoethyl]carbamate
CID 87401436
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323
tert-butyl N-[1-cyclohexyl-2-(methylamino)prop-2-enyl]carbamate
CID 142933904
cesium;carbanide;2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156707801
tert-butyl N-[(1S)-1-cyclopropyl-2-(dimethylamino)-2-oxoethyl]carbamate
CID 86678914
chloromethyl 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 165440604
tert-butyl N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)carbamate
CID 62666468
tert-butyl N-[(1S)-1-cyclohexyl-2-[methoxy(methyl)amino]-2-oxoethyl]carbamate;(2S)-2-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;N-methoxymethanamine;hydrochloride
CID 159188171
N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 66756723
tert-butyl N-ethyl-N-[2-(methylamino)ethyl]carbamate
CID 89069873
tert-butyl N-[1-cyclobutyl-2-(2-methylhydrazinyl)-2-oxoethyl]carbamate
CID 116849479
tert-butyl N-[1-cyclopropyl-2-(methylamino)-2-oxoethyl]carbamate
CID 130156540

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-cyclohexyl-2-[ethyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[1-cyclohexyl-2-[ethyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate (CID 176580768) is tert-butyl N-[1-cyclohexyl-2-[ethyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-cyclohexyl-2-[ethyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-cyclohexyl-2-[ethyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate is CCN(CCNC)C(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl N-[1-cyclohexyl-2-[ethyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate?
The InChIKey is ZDYLNTOAHMPTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O3/c1-6-21(13-12-19-5)16(22)15(14-10-8-7-9-11-14)20-17(23)24-18(2,3)4/h14-15,19H,6-13H2,1-5H3,(H,20,23).
What are the key properties of tert-butyl N-[1-cyclohexyl-2-[ethyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[1-cyclohexyl-2-[ethyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 341.50 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-cyclohexyl-2-[ethyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 176580768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).