N-(tert-butylcarbamoyl)-2-[4-(methylamino)phenoxy]acetamide

C14H21N3O3 — CID 61028341

IUPACN-(tert-butylcarbamoyl)-2-[4-(methylamino)phenoxy]acetamide
SMILESCNc1ccc(OCC(=O)NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)17-13(19)16-12(18)9-20-11-7-5-10(15-4)6-8-11/h5-8,15H,9H2,1-4H3,(H2,16,17,18,19)
InChIKeyQAQCXGWLYMUVKM-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.73
Rot. Bonds4

About N-(tert-butylcarbamoyl)-2-[4-(methylamino)phenoxy]acetamide

N-(tert-butylcarbamoyl)-2-[4-(methylamino)phenoxy]acetamide (PubChem CID 61028341) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[4-(methylamino)phenoxy]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[4-(methylamino)phenoxy]acetamide
PubChem CID61028341
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(tert-butylcarbamoyl)-2-[4-(methylamino)phenoxy]acetamide
SMILESCNc1ccc(OCC(=O)NC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)17-13(19)16-12(18)9-20-11-7-5-10(15-4)6-8-11/h5-8,15H,9H2,1-4H3,(H2,16,17,18,19)
InChIKeyQAQCXGWLYMUVKM-UHFFFAOYSA-N
XLogP1.73
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyano-3-methylbutan-2-yl)-2-[4-(methylamino)phenoxy]acetamide
CID 61026918
N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide
CID 66525538
N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139479
N-(4-cyanophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61027849
N-cycloheptyl-2-[4-(methylamino)phenoxy]acetamide
CID 61027576
4-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylamino]benzoic acid
CID 66525531
N-(tert-butylcarbamoyl)-2-(2,4-dichlorophenoxy)acetamide
CID 2640450
N-tert-butyl-2-[2-[2-(4-methylphenoxy)acetyl]hydrazinyl]-2-oxoacetamide
CID 3108520
N,N-diethyl-2-[4-(methylamino)phenoxy]acetamide
CID 54908693
methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate
CID 47096345
[2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate
CID 2108654

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[4-(methylamino)phenoxy]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[4-(methylamino)phenoxy]acetamide (CID 61028341) is N-(tert-butylcarbamoyl)-2-[4-(methylamino)phenoxy]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[4-(methylamino)phenoxy]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[4-(methylamino)phenoxy]acetamide is CNc1ccc(OCC(=O)NC(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[4-(methylamino)phenoxy]acetamide?
The InChIKey is QAQCXGWLYMUVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)17-13(19)16-12(18)9-20-11-7-5-10(15-4)6-8-11/h5-8,15H,9H2,1-4H3,(H2,16,17,18,19).
What are the key properties of N-(tert-butylcarbamoyl)-2-[4-(methylamino)phenoxy]acetamide?
N-(tert-butylcarbamoyl)-2-[4-(methylamino)phenoxy]acetamide has a molecular weight of 279.34 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[4-(methylamino)phenoxy]acetamide is sourced from PubChem (CID 61028341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).