N-(2-aminoethyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide

C17H22N4O4 — CID 108873405

IUPACN-(2-aminoethyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide
SMILESCC(=O)N(CCN)C(=O)Nc1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O
InChIInChI=1S/C17H22N4O4/c1-10(22)20(8-7-18)16(25)19-11-5-6-12-13(9-11)15(24)21(14(12)23)17(2,3)4/h5-6,9H,7-8,18H2,1-4H3,(H,19,25)
InChIKeyZOJZHBAAQPPKAJ-UHFFFAOYSA-N
MW346.39 g/mol
LogP1.42
Rot. Bonds3

About N-(2-aminoethyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide

N-(2-aminoethyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide (PubChem CID 108873405) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide
PubChem CID108873405
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC NameN-(2-aminoethyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide
SMILESCC(=O)N(CCN)C(=O)Nc1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O
InChIInChI=1S/C17H22N4O4/c1-10(22)20(8-7-18)16(25)19-11-5-6-12-13(9-11)15(24)21(14(12)23)17(2,3)4/h5-6,9H,7-8,18H2,1-4H3,(H,19,25)
InChIKeyZOJZHBAAQPPKAJ-UHFFFAOYSA-N
XLogP1.42
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide
CID 108873346
N-(2-aminoethyl)-N-[(4-tert-butylphenyl)carbamoyl]acetamide
CID 108884864
N-(2-aminoethyl)-N-[(4-bromophenyl)carbamoyl]acetamide
CID 108869300
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-prop-2-enylurea
CID 108873345
1-benzyl-3-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1-propan-2-ylurea
CID 108873183
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(4-tert-butylphenyl)urea
CID 108873381
4-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoylamino]benzamide
CID 108873391
ethyl 4-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]piperazine-1-carboxylate
CID 108873457
3-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-1-methyl-1-(1-methylpiperidin-4-yl)urea
CID 108873206
N-(2-aminoethyl)-N-[(3,5-dihydroxyphenyl)carbamoyl]acetamide
CID 108895560
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(3-methylbutyl)urea
CID 108873443
1-(2-tert-butyl-1,3-dioxoisoindol-5-yl)-3-(2,4,6-trimethylphenyl)urea
CID 108873240

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide?
The IUPAC name of N-(2-aminoethyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide (CID 108873405) is N-(2-aminoethyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide is CC(=O)N(CCN)C(=O)Nc1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O.
What is the InChIKey of N-(2-aminoethyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide?
The InChIKey is ZOJZHBAAQPPKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-10(22)20(8-7-18)16(25)19-11-5-6-12-13(9-11)15(24)21(14(12)23)17(2,3)4/h5-6,9H,7-8,18H2,1-4H3,(H,19,25).
What are the key properties of N-(2-aminoethyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide?
N-(2-aminoethyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide has a molecular weight of 346.39 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[(2-tert-butyl-1,3-dioxoisoindol-5-yl)carbamoyl]acetamide is sourced from PubChem (CID 108873405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).