2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide

C21H27N3O3 — CID 18110379

IUPAC2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H27N3O3/c1-21(2,3)23-19(25)14-24(4)20(26)15-27-18-12-10-17(11-13-18)22-16-8-6-5-7-9-16/h5-13,22H,14-15H2,1-4H3,(H,23,25)
InChIKeyJNIIBFSOCQYCRG-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.18
Rot. Bonds7

About 2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide

2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide (PubChem CID 18110379) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide
PubChem CID18110379
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide
SMILESCN(CC(=O)NC(C)(C)C)C(=O)COc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C21H27N3O3/c1-21(2,3)23-19(25)14-24(4)20(26)15-27-18-12-10-17(11-13-18)22-16-8-6-5-7-9-16/h5-13,22H,14-15H2,1-4H3,(H,23,25)
InChIKeyJNIIBFSOCQYCRG-UHFFFAOYSA-N
XLogP3.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-bromophenoxy)acetyl]-methylamino]-N-tert-butylacetamide
CID 9193534
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenylmethoxybenzoate
CID 8809632
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-phenoxybenzoate
CID 9009280
N-tert-butyl-2-[methyl-[2-(3-nitrophenoxy)acetyl]amino]acetamide
CID 8586964
2-[[2-(4-methoxyphenoxy)acetyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 7719333
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 55444223
N-tert-butyl-2-[methyl-[2-(2,4,6-trimethylphenoxy)acetyl]amino]acetamide
CID 24660351
[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] naphthalene-2-carboxylate
CID 9018400
2-[[2-(4-tert-butylphenoxy)acetyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 7970505
N-tert-butyl-2-[methyl-[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]acetamide
CID 8649325
2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid
CID 61329426
N-tert-butyl-2-[methyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetamide
CID 9343613

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide (CID 18110379) is 2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide is CN(CC(=O)NC(C)(C)C)C(=O)COc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide?
The InChIKey is JNIIBFSOCQYCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-21(2,3)23-19(25)14-24(4)20(26)15-27-18-12-10-17(11-13-18)22-16-8-6-5-7-9-16/h5-13,22H,14-15H2,1-4H3,(H,23,25).
What are the key properties of 2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide?
2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide has a molecular weight of 369.47 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-anilinophenoxy)acetyl]-methylamino]-N-tert-butylacetamide is sourced from PubChem (CID 18110379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).