N-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide

C14H21N3O2 — CID 82733451

IUPACN-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide
SMILESCN(C(=O)CN(C)C1CCOC1)c1ccc(N)cc1
InChIInChI=1S/C14H21N3O2/c1-16(13-7-8-19-10-13)9-14(18)17(2)12-5-3-11(15)4-6-12/h3-6,13H,7-10,15H2,1-2H3
InChIKeyILQKTPPMRBRSKF-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.95
Rot. Bonds4

About N-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide

N-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide (PubChem CID 82733451) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide
PubChem CID82733451
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide
SMILESCN(C(=O)CN(C)C1CCOC1)c1ccc(N)cc1
InChIInChI=1S/C14H21N3O2/c1-16(13-7-8-19-10-13)9-14(18)17(2)12-5-3-11(15)4-6-12/h3-6,13H,7-10,15H2,1-2H3
InChIKeyILQKTPPMRBRSKF-UHFFFAOYSA-N
XLogP0.95
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide?
The IUPAC name of N-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide (CID 82733451) is N-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide.
What is the SMILES notation for N-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide?
The canonical SMILES for N-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide is CN(C(=O)CN(C)C1CCOC1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide?
The InChIKey is ILQKTPPMRBRSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16(13-7-8-19-10-13)9-14(18)17(2)12-5-3-11(15)4-6-12/h3-6,13H,7-10,15H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide?
N-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-methyl-2-[methyl(oxolan-3-yl)amino]acetamide is sourced from PubChem (CID 82733451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).