tert-butyl N-[1-[N-(ethylamino)anilino]-2-methyl-1-oxopropan-2-yl]carbamate

C17H27N3O3 — CID 91227691

IUPACtert-butyl N-[1-[N-(ethylamino)anilino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCCNN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H27N3O3/c1-7-18-20(13-11-9-8-10-12-13)14(21)17(5,6)19-15(22)23-16(2,3)4/h8-12,18H,7H2,1-6H3,(H,19,22)
InChIKeyMRTWQWGRMFXHCV-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.85
Rot. Bonds5

About tert-butyl N-[1-[N-(ethylamino)anilino]-2-methyl-1-oxopropan-2-yl]carbamate

tert-butyl N-[1-[N-(ethylamino)anilino]-2-methyl-1-oxopropan-2-yl]carbamate (PubChem CID 91227691) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is tert-butyl N-[1-[N-(ethylamino)anilino]-2-methyl-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[N-(ethylamino)anilino]-2-methyl-1-oxopropan-2-yl]carbamate
PubChem CID91227691
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Nametert-butyl N-[1-[N-(ethylamino)anilino]-2-methyl-1-oxopropan-2-yl]carbamate
SMILESCCNN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H27N3O3/c1-7-18-20(13-11-9-8-10-12-13)14(21)17(5,6)19-15(22)23-16(2,3)4/h8-12,18H,7H2,1-6H3,(H,19,22)
InChIKeyMRTWQWGRMFXHCV-UHFFFAOYSA-N
XLogP2.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethylamino(phenyl)carbamic acid
CID 159582603
tert-butyl N-[1-(ethylamino)-1-oxo-2-phenylpropan-2-yl]carbamate
CID 102563275
4-[[(2-methylpropan-2-yl)oxycarbonylamino]-phenylcarbamoyl]benzoic acid
CID 68906286
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(N-phenylanilino)propanoic acid
CID 68845700
tert-butyl N-(N-benzyl-4-fluoroanilino)carbamate
CID 122213267
tert-butyl N-[3,5-bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylhydrazinyl]anilino]-N-phenylcarbamate
CID 102187327
2-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid
CID 22284629
(2S)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 39870673
5-[[(2-methylpropan-2-yl)oxycarbonylamino]-phenylcarbamoyl]thiophene-2-carboxylic acid
CID 22041428
tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylpropanoate
CID 101134565
(2S)-2-benzyl-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 57367743
tert-butyl N-[2-[N-(dimethylcarbamoyl)anilino]-2-oxoethyl]carbamate
CID 69441199

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[N-(ethylamino)anilino]-2-methyl-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[N-(ethylamino)anilino]-2-methyl-1-oxopropan-2-yl]carbamate (CID 91227691) is tert-butyl N-[1-[N-(ethylamino)anilino]-2-methyl-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[N-(ethylamino)anilino]-2-methyl-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[N-(ethylamino)anilino]-2-methyl-1-oxopropan-2-yl]carbamate is CCNN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[1-[N-(ethylamino)anilino]-2-methyl-1-oxopropan-2-yl]carbamate?
The InChIKey is MRTWQWGRMFXHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c1-7-18-20(13-11-9-8-10-12-13)14(21)17(5,6)19-15(22)23-16(2,3)4/h8-12,18H,7H2,1-6H3,(H,19,22).
What are the key properties of tert-butyl N-[1-[N-(ethylamino)anilino]-2-methyl-1-oxopropan-2-yl]carbamate?
tert-butyl N-[1-[N-(ethylamino)anilino]-2-methyl-1-oxopropan-2-yl]carbamate has a molecular weight of 321.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[N-(ethylamino)anilino]-2-methyl-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 91227691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).