5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one

C14H20N2O3 — CID 117002268

IUPAC5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one
SMILESCC(C)Oc1ccc(N2CC(CN)COC2=O)cc1
InChIInChI=1S/C14H20N2O3/c1-10(2)19-13-5-3-12(4-6-13)16-8-11(7-15)9-18-14(16)17/h3-6,10-11H,7-9,15H2,1-2H3
InChIKeyPRDPTGZQDYOWPF-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.01
Rot. Bonds4

About 5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one

5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one (PubChem CID 117002268) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one
PubChem CID117002268
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one
SMILESCC(C)Oc1ccc(N2CC(CN)COC2=O)cc1
InChIInChI=1S/C14H20N2O3/c1-10(2)19-13-5-3-12(4-6-13)16-8-11(7-15)9-18-14(16)17/h3-6,10-11H,7-9,15H2,1-2H3
InChIKeyPRDPTGZQDYOWPF-UHFFFAOYSA-N
XLogP2.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-3-(4-methylphenyl)-1,3-oxazinan-2-one
CID 117011525
5-(2-aminoethyl)-3-(4-ethylphenyl)-1,3-oxazinan-2-one
CID 117002404
methyl 3-[5-(aminomethyl)-2-oxo-1,3-oxazinan-3-yl]benzoate
CID 117002275
5-(2-aminoethyl)-3-phenyl-1,3-oxazinan-2-one
CID 117002393
5-(aminomethyl)-3-(2,5-dimethylphenyl)-1,3-oxazinan-2-one
CID 117002233
5-(aminomethyl)-3-propan-2-yl-1,3-oxazinan-2-one
CID 117002200
1-methyl-4-(4-propan-2-yloxyphenyl)piperazine-2,3-dione
CID 117026424
3-(4-bromophenyl)-5-(2-hydroxyethyl)-1,3-oxazinan-2-one
CID 117011179
1-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 79778090
3-(4-methoxyphenyl)-2-oxo-1,3-oxazinane-5-carboxylic acid
CID 117010286
1-(4-propan-2-yloxyphenyl)piperazin-2-one
CID 64567030
3,3-dimethyl-1-(4-propan-2-yloxyphenyl)-1,4-diazepane-2,5-dione
CID 64959951

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one?
The IUPAC name of 5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one (CID 117002268) is 5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one?
The canonical SMILES for 5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one is CC(C)Oc1ccc(N2CC(CN)COC2=O)cc1.
What is the InChIKey of 5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one?
The InChIKey is PRDPTGZQDYOWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)19-13-5-3-12(4-6-13)16-8-11(7-15)9-18-14(16)17/h3-6,10-11H,7-9,15H2,1-2H3.
What are the key properties of 5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one?
5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one has a molecular weight of 264.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-(4-propan-2-yloxyphenyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 117002268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).