N-[2-(tert-butylamino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide

C18H23N3O4 — CID 9193681

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H23N3O4/c1-18(2,3)19-14(22)11-20(4)15(23)9-10-21-16(24)12-7-5-6-8-13(12)17(21)25/h5-8H,9-11H2,1-4H3,(H,19,22)
InChIKeyZRMRQPNORRDYJZ-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.05
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide

N-[2-(tert-butylamino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide (PubChem CID 9193681) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide
PubChem CID9193681
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H23N3O4/c1-18(2,3)19-14(22)11-20(4)15(23)9-10-21-16(24)12-7-5-6-8-13(12)17(21)25/h5-8H,9-11H2,1-4H3,(H,19,22)
InChIKeyZRMRQPNORRDYJZ-UHFFFAOYSA-N
XLogP1.05
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(tert-butylamino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide
CID 18118114
2-[3-(1,3-dioxoisoindol-2-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119199928
N-tert-butyl-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide
CID 19172195
tert-butyl N-[(2S)-1-[3-(1,3-dioxoisoindol-2-yl)propanoyl-methylamino]propan-2-yl]carbamate
CID 110315270
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
CID 60717641
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]propanamide
CID 55376995
N-[2-(tert-butylamino)-2-oxoethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-methylpropanamide
CID 18137368
2-[(2-benzylsulfanylacetyl)-methylamino]-N-tert-butylacetamide
CID 8620942
N-benzyl-N-tert-butyl-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 51370669
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanamide
CID 46655556
3-(1,3-dioxoisoindol-2-yl)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155126
2-[3-(1,3-dioxoisoindol-2-yl)propanoyl-propan-2-ylamino]acetic acid
CID 119197989

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide (CID 9193681) is N-[2-(tert-butylamino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide is CN(CC(=O)NC(C)(C)C)C(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide?
The InChIKey is ZRMRQPNORRDYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-18(2,3)19-14(22)11-20(4)15(23)9-10-21-16(24)12-7-5-6-8-13(12)17(21)25/h5-8H,9-11H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide has a molecular weight of 345.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide is sourced from PubChem (CID 9193681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).