N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide

C14H22N2O2 — CID 112601790

IUPACN-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCN(Cc1ccc(N)cc1)C(=O)COC(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-10-13(17)16(4)9-11-5-7-12(15)8-6-11/h5-8H,9-10,15H2,1-4H3
InChIKeyNMKUEIJOELSCSN-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.04
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide

N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112601790) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112601790
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCN(Cc1ccc(N)cc1)C(=O)COC(C)(C)C
InChIInChI=1S/C14H22N2O2/c1-14(2,3)18-10-13(17)16(4)9-11-5-7-12(15)8-6-11/h5-8H,9-10,15H2,1-4H3
InChIKeyNMKUEIJOELSCSN-UHFFFAOYSA-N
XLogP2.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604549
2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 10085503
N-methyl-2-[(2-methylpropan-2-yl)oxy]-N-(naphthalen-2-ylmethyl)acetamide
CID 115950185
N-[(4-aminophenyl)methyl]-3-ethoxy-N-methylpropanamide
CID 62589156
tert-butyl N-[6-[(4-aminophenyl)methyl-methylamino]-6-oxohexyl]carbamate
CID 178019449
N-[(4-aminophenyl)methyl]-2-(4-fluorophenyl)-N-methylacetamide
CID 43458116
N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-methylacetamide
CID 61278778
N-[(4-aminophenyl)methyl]-3-cyclopentyl-N-methylpropanamide
CID 43458114
1-[(4-aminophenyl)methyl]-3-ethyl-1,3-dimethylurea
CID 79159501
N-ethyl-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604773
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605024
(E)-N-[(4-aminophenyl)methyl]-N-methyl-5-phenylpent-4-enamide
CID 66486373

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112601790) is N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide is CN(Cc1ccc(N)cc1)C(=O)COC(C)(C)C.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is NMKUEIJOELSCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-14(2,3)18-10-13(17)16(4)9-11-5-7-12(15)8-6-11/h5-8H,9-10,15H2,1-4H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 250.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112601790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).