tert-butyl N-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)amino]ethylamino]ethyl]carbamate

C19H29N3O4 — CID 108570352

IUPACtert-butyl N-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)amino]ethylamino]ethyl]carbamate
SMILESCC(C)c1ccc(C(=O)NCCNC(=O)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H29N3O4/c1-13(2)14-6-8-15(9-7-14)17(24)21-11-10-20-16(23)12-22-18(25)26-19(3,4)5/h6-9,13H,10-12H2,1-5H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyKOAAFHULQCLFCH-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.18
Rot. Bonds7

About tert-butyl N-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)amino]ethylamino]ethyl]carbamate

tert-butyl N-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)amino]ethylamino]ethyl]carbamate (PubChem CID 108570352) has the molecular formula C19H29N3O4 and a molecular weight of 363.46 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)amino]ethylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)amino]ethylamino]ethyl]carbamate
PubChem CID108570352
Molecular FormulaC19H29N3O4
Molecular Weight363.46 g/mol
Exact Mass363.22
IUPAC Nametert-butyl N-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)amino]ethylamino]ethyl]carbamate
SMILESCC(C)c1ccc(C(=O)NCCNC(=O)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H29N3O4/c1-13(2)14-6-8-15(9-7-14)17(24)21-11-10-20-16(23)12-22-18(25)26-19(3,4)5/h6-9,13H,10-12H2,1-5H3,(H,20,23)(H,21,24)(H,22,25)
InChIKeyKOAAFHULQCLFCH-UHFFFAOYSA-N
XLogP2.18
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-methyl-2-[(4-propan-2-ylbenzoyl)amino]propyl]carbamate
CID 86888069
tert-butyl N-[2-[2-[(3-hydroxybenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537178
tert-butyl N-[2-[2-[(2-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537111
methyl 3-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]ethyl]benzoyl]amino]propanoate
CID 58352957
N-[2-[(2-phenylacetyl)amino]ethyl]-4-propan-2-ylbenzamide
CID 108571670
N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-4-propan-2-ylbenzamide
CID 108574844
2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387473
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
tert-butyl N-[2-oxo-2-[2-[(3,4,5-trimethoxybenzoyl)amino]ethylamino]ethyl]carbamate
CID 108916210
methyl 2-[(4-propan-2-ylbenzoyl)amino]acetate
CID 43404732
4-[[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]carbamoyl]benzoic acid
CID 141383624
tert-butyl N-[2-[2-[(2-methylbenzoyl)amino]ethylamino]-2-oxoethyl]carbamate
CID 108537173

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)amino]ethylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)amino]ethylamino]ethyl]carbamate (CID 108570352) is tert-butyl N-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)amino]ethylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)amino]ethylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)amino]ethylamino]ethyl]carbamate is CC(C)c1ccc(C(=O)NCCNC(=O)CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)amino]ethylamino]ethyl]carbamate?
The InChIKey is KOAAFHULQCLFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4/c1-13(2)14-6-8-15(9-7-14)17(24)21-11-10-20-16(23)12-22-18(25)26-19(3,4)5/h6-9,13H,10-12H2,1-5H3,(H,20,23)(H,21,24)(H,22,25).
What are the key properties of tert-butyl N-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)amino]ethylamino]ethyl]carbamate?
tert-butyl N-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)amino]ethylamino]ethyl]carbamate has a molecular weight of 363.46 g/mol, XLogP of 2.18, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-[2-[(4-propan-2-ylbenzoyl)amino]ethylamino]ethyl]carbamate is sourced from PubChem (CID 108570352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).