tert-butyl N-[2-methyl-2-[(4-propan-2-ylbenzoyl)amino]propyl]carbamate

C19H30N2O3 — CID 86888069

IUPACtert-butyl N-[2-methyl-2-[(4-propan-2-ylbenzoyl)amino]propyl]carbamate
SMILESCC(C)c1ccc(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H30N2O3/c1-13(2)14-8-10-15(11-9-14)16(22)21-19(6,7)12-20-17(23)24-18(3,4)5/h8-11,13H,12H2,1-7H3,(H,20,23)(H,21,22)
InChIKeyPAGPLNMNRMKVHW-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.84
Rot. Bonds5

About tert-butyl N-[2-methyl-2-[(4-propan-2-ylbenzoyl)amino]propyl]carbamate

tert-butyl N-[2-methyl-2-[(4-propan-2-ylbenzoyl)amino]propyl]carbamate (PubChem CID 86888069) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-2-[(4-propan-2-ylbenzoyl)amino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-2-[(4-propan-2-ylbenzoyl)amino]propyl]carbamate
PubChem CID86888069
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl N-[2-methyl-2-[(4-propan-2-ylbenzoyl)amino]propyl]carbamate
SMILESCC(C)c1ccc(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H30N2O3/c1-13(2)14-8-10-15(11-9-14)16(22)21-19(6,7)12-20-17(23)24-18(3,4)5/h8-11,13H,12H2,1-7H3,(H,20,23)(H,21,22)
InChIKeyPAGPLNMNRMKVHW-UHFFFAOYSA-N
XLogP3.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)amino]ethylamino]ethyl]carbamate
CID 108570352
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
tert-butyl N-[3,4-dihydroxy-4-(4-propan-2-ylphenyl)butyl]carbamate
CID 171884677
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzamide;hydrochloride
CID 119630213
N-(2,2-dimethylpropyl)-4-propan-2-ylbenzamide;molecular hydrogen
CID 169133122
tert-butyl N-(4-propan-2-ylphenyl)carbamate
CID 10868278
N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide
CID 115365755
methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
CID 43404732
4-[1-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoic acid
CID 23586222
N-(3,3-dimethyl-2-oxobutyl)-4-propan-2-ylbenzamide
CID 64992078
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]benzoate
CID 139368736
tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-2-[(4-propan-2-ylbenzoyl)amino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-methyl-2-[(4-propan-2-ylbenzoyl)amino]propyl]carbamate (CID 86888069) is tert-butyl N-[2-methyl-2-[(4-propan-2-ylbenzoyl)amino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-methyl-2-[(4-propan-2-ylbenzoyl)amino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-methyl-2-[(4-propan-2-ylbenzoyl)amino]propyl]carbamate is CC(C)c1ccc(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-methyl-2-[(4-propan-2-ylbenzoyl)amino]propyl]carbamate?
The InChIKey is PAGPLNMNRMKVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-13(2)14-8-10-15(11-9-14)16(22)21-19(6,7)12-20-17(23)24-18(3,4)5/h8-11,13H,12H2,1-7H3,(H,20,23)(H,21,22).
What are the key properties of tert-butyl N-[2-methyl-2-[(4-propan-2-ylbenzoyl)amino]propyl]carbamate?
tert-butyl N-[2-methyl-2-[(4-propan-2-ylbenzoyl)amino]propyl]carbamate has a molecular weight of 334.46 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-2-[(4-propan-2-ylbenzoyl)amino]propyl]carbamate is sourced from PubChem (CID 86888069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).