N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C17H23N3O4 — CID 31551164

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C17H23N3O4/c1-17(2,3)18-14(21)11-19(4)15(22)9-10-20-12-7-5-6-8-13(12)24-16(20)23/h5-8H,9-11H2,1-4H3,(H,18,21)
InChIKeyAQZSJGQVBSZKAC-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.36
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 31551164) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID31551164
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C17H23N3O4/c1-17(2,3)18-14(21)11-19(4)15(22)9-10-20-12-7-5-6-8-13(12)24-16(20)23/h5-8H,9-11H2,1-4H3,(H,18,21)
InChIKeyAQZSJGQVBSZKAC-UHFFFAOYSA-N
XLogP1.36
TPSA84.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
1-tert-butyl-3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]thiourea
CID 9426017
N-[2-(tert-butylamino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide
CID 9193681
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 134052813
N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 9228097
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 7780086
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808848
N-[2-(tert-butylamino)-2-oxoethyl]-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide
CID 18118114
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 32757922
N-ethyl-3-(2-oxo-1,3-benzoxazol-3-yl)-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]propanamide
CID 16561398
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 31333794
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 42990131

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 31551164) is N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CN(CC(=O)NC(C)(C)C)C(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is AQZSJGQVBSZKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-17(2,3)18-14(21)11-19(4)15(22)9-10-20-12-7-5-6-8-13(12)24-16(20)23/h5-8H,9-11H2,1-4H3,(H,18,21).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 333.39 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 31551164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).