N-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide

C16H24N2O2 — CID 63010976

IUPACN-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide
SMILESCC(C)N(Cc1ccc(N)cc1)C(=O)C1CCCOC1
InChIInChI=1S/C16H24N2O2/c1-12(2)18(10-13-5-7-15(17)8-6-13)16(19)14-4-3-9-20-11-14/h5-8,12,14H,3-4,9-11,17H2,1-2H3
InChIKeySPKAEZUWWFYJEX-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.43
Rot. Bonds4

About N-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide

N-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide (PubChem CID 63010976) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide
PubChem CID63010976
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide
SMILESCC(C)N(Cc1ccc(N)cc1)C(=O)C1CCCOC1
InChIInChI=1S/C16H24N2O2/c1-12(2)18(10-13-5-7-15(17)8-6-13)16(19)14-4-3-9-20-11-14/h5-8,12,14H,3-4,9-11,17H2,1-2H3
InChIKeySPKAEZUWWFYJEX-UHFFFAOYSA-N
XLogP2.43
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.43
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-benzyl-N-propan-2-yloxane-3-carboxamide
CID 110855554
N-[(4-aminophenyl)methyl]-N-propan-2-ylcyclohexanecarboxamide
CID 43460030
N-[(4-aminophenyl)methyl]-N-propan-2-yl-1,4-dioxane-2-carboxamide
CID 62797970
N-[(4-aminophenyl)methyl]-N-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 61365705
N-(2-cyanoethyl)-N-propan-2-yloxane-3-carboxamide
CID 63014533
N-[(5-amino-2-chlorophenyl)methyl]-N-methyloxane-3-carboxamide
CID 63010284
N-(piperidin-4-ylmethyl)-N-propan-2-yloxane-3-carboxamide
CID 79720856
N-[(3-aminophenyl)methyl]-N-cyclopropyloxane-3-carboxamide
CID 63011151
N-(2-aminoethyl)-N-propan-2-yloxolane-3-carboxamide
CID 61350101
2-[butan-2-yl(oxane-3-carbonyl)amino]acetic acid
CID 55110283
2-[(4-fluorophenyl)methyl-[(3R)-oxane-3-carbonyl]amino]acetic acid
CID 129468876
methyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate
CID 43460059

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide (CID 63010976) is N-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide is CC(C)N(Cc1ccc(N)cc1)C(=O)C1CCCOC1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide?
The InChIKey is SPKAEZUWWFYJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(2)18(10-13-5-7-15(17)8-6-13)16(19)14-4-3-9-20-11-14/h5-8,12,14H,3-4,9-11,17H2,1-2H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide?
N-[(4-aminophenyl)methyl]-N-propan-2-yloxane-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.43, 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-propan-2-yloxane-3-carboxamide is sourced from PubChem (CID 63010976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).