N,N-dimethyl-4-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

C20H24N2O3 — CID 51110693

IUPACN,N-dimethyl-4-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCc1ccc(OCCN2CC(C(=O)N(C)C)Oc3ccccc32)cc1
InChIInChI=1S/C20H24N2O3/c1-15-8-10-16(11-9-15)24-13-12-22-14-19(20(23)21(2)3)25-18-7-5-4-6-17(18)22/h4-11,19H,12-14H2,1-3H3
InChIKeyCJNKTGSESYICIK-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.73
Rot. Bonds5

About N,N-dimethyl-4-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

N,N-dimethyl-4-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (PubChem CID 51110693) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
PubChem CID51110693
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN,N-dimethyl-4-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide
SMILESCc1ccc(OCCN2CC(C(=O)N(C)C)Oc3ccccc32)cc1
InChIInChI=1S/C20H24N2O3/c1-15-8-10-16(11-9-15)24-13-12-22-14-19(20(23)21(2)3)25-18-7-5-4-6-17(18)22/h4-11,19H,12-14H2,1-3H3
InChIKeyCJNKTGSESYICIK-UHFFFAOYSA-N
XLogP2.73
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide (CID 51110693) is N,N-dimethyl-4-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is Cc1ccc(OCCN2CC(C(=O)N(C)C)Oc3ccccc32)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
The InChIKey is CJNKTGSESYICIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-15-8-10-16(11-9-15)24-13-12-22-14-19(20(23)21(2)3)25-18-7-5-4-6-17(18)22/h4-11,19H,12-14H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide?
N,N-dimethyl-4-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 51110693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).