tert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate

C17H24N4O4 — CID 51095782

IUPACtert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C17H24N4O4/c1-17(2,3)25-16(24)20-8-7-18-14(22)12-5-4-6-13(11-12)21-10-9-19-15(21)23/h4-6,11H,7-10H2,1-3H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyVAUGABOWPDIVCE-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.47
Rot. Bonds5

About tert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate

tert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate (PubChem CID 51095782) has the molecular formula C17H24N4O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is tert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate
PubChem CID51095782
Molecular FormulaC17H24N4O4
Molecular Weight348.40 g/mol
Exact Mass348.18
IUPAC Nametert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCNC(=O)c1cccc(N2CCNC2=O)c1
InChIInChI=1S/C17H24N4O4/c1-17(2,3)25-16(24)20-8-7-18-14(22)12-5-4-6-13(11-12)21-10-9-19-15(21)23/h4-6,11H,7-10H2,1-3H3,(H,18,22)(H,19,23)(H,20,24)
InChIKeyVAUGABOWPDIVCE-UHFFFAOYSA-N
XLogP1.47
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.47
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

N-(3-cyclopentylpropyl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 60504639
N-[2-(2,4-dimethoxyphenyl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 72940866
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
tert-butyl N-[2-[[3-(tetrazol-1-yl)benzoyl]amino]ethyl]carbamate
CID 51095808
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55851280
2-[[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]acetic acid
CID 119350110
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55838174
N-[2,3-bis(4-chlorophenyl)butyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 69375843
3-(2-oxoimidazolidin-1-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 55699507
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 55702410
N-(1-cyclopropylpyrrolidin-3-yl)-3-(2-oxoimidazolidin-1-yl)benzamide
CID 51100170
tert-butyl N-[4-[(3-chlorobenzoyl)amino]butyl]carbamate
CID 139824741

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate (CID 51095782) is tert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCCNC(=O)c1cccc(N2CCNC2=O)c1.
What is the InChIKey of tert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate?
The InChIKey is VAUGABOWPDIVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4/c1-17(2,3)25-16(24)20-8-7-18-14(22)12-5-4-6-13(11-12)21-10-9-19-15(21)23/h4-6,11H,7-10H2,1-3H3,(H,18,22)(H,19,23)(H,20,24).
What are the key properties of tert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate has a molecular weight of 348.40 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[3-(2-oxoimidazolidin-1-yl)benzoyl]amino]ethyl]carbamate is sourced from PubChem (CID 51095782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).