tert-butyl N-[2-[butyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate

C18H28N2O3 — CID 110415926

IUPACtert-butyl N-[2-[butyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate
SMILESCCCCN(C)C(=O)C(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H28N2O3/c1-6-7-13-20(5)16(21)15(14-11-9-8-10-12-14)19-17(22)23-18(2,3)4/h8-12,15H,6-7,13H2,1-5H3,(H,19,22)
InChIKeyDVXSWZZBYGJHJB-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.51
Rot. Bonds6

About tert-butyl N-[2-[butyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate

tert-butyl N-[2-[butyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate (PubChem CID 110415926) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl N-[2-[butyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[butyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate
PubChem CID110415926
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl N-[2-[butyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate
SMILESCCCCN(C)C(=O)C(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C18H28N2O3/c1-6-7-13-20(5)16(21)15(14-11-9-8-10-12-14)19-17(22)23-18(2,3)4/h8-12,15H,6-7,13H2,1-5H3,(H,19,22)
InChIKeyDVXSWZZBYGJHJB-UHFFFAOYSA-N
XLogP3.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[benzyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate;hydrochloride
CID 53439137
icosyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
CID 171611758
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetic acid;hydrochloride
CID 13017724
tert-butyl N-[(1S)-3-hydroxy-2-oxo-1-phenylpropyl]carbamate
CID 91260238
tert-butyl N-(3,3-dimethyl-2-oxo-1-phenylbutyl)carbamate
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tert-butyl N-(2-hydrazinyl-2-oxo-1-phenylethyl)carbamate
CID 546260
2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetyl]amino]-2-phenylacetic acid
CID 90120378
tert-butyl N-[2-(iodoamino)-2-oxo-1-phenylethyl]carbamate
CID 87741813
ethyl 2-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-phenylmethyl]prop-2-enoate
CID 134940526
tert-butyl N-[2-(butylamino)-1-phenylethyl]carbamate
CID 107241116
tert-butyl N-[2-(2-methylpentan-3-ylamino)-2-oxo-1-phenylethyl]carbamate
CID 143420982
tert-butyl N-[2-(methoxyamino)-2-oxo-1-phenylethyl]carbamate
CID 110611851

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[butyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[butyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate (CID 110415926) is tert-butyl N-[2-[butyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[butyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[butyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate is CCCCN(C)C(=O)C(NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2-[butyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate?
The InChIKey is DVXSWZZBYGJHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-6-7-13-20(5)16(21)15(14-11-9-8-10-12-14)19-17(22)23-18(2,3)4/h8-12,15H,6-7,13H2,1-5H3,(H,19,22).
What are the key properties of tert-butyl N-[2-[butyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate?
tert-butyl N-[2-[butyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate has a molecular weight of 320.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[butyl(methyl)amino]-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 110415926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).