N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-methoxy-N,4-dimethylbenzamide

C21H26N2O3 — CID 24551493

IUPACN-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-methoxy-N,4-dimethylbenzamide
SMILESCCN1CC(CN(C)C(=O)c2ccc(C)c(OC)c2)Oc2ccccc21
InChIInChI=1S/C21H26N2O3/c1-5-23-14-17(26-19-9-7-6-8-18(19)23)13-22(3)21(24)16-11-10-15(2)20(12-16)25-4/h6-12,17H,5,13-14H2,1-4H3
InChIKeySOQLMPFYDFXXJX-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.36
Rot. Bonds5

About N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-methoxy-N,4-dimethylbenzamide

N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-methoxy-N,4-dimethylbenzamide (PubChem CID 24551493) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-methoxy-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-methoxy-N,4-dimethylbenzamide
PubChem CID24551493
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-methoxy-N,4-dimethylbenzamide
SMILESCCN1CC(CN(C)C(=O)c2ccc(C)c(OC)c2)Oc2ccccc21
InChIInChI=1S/C21H26N2O3/c1-5-23-14-17(26-19-9-7-6-8-18(19)23)13-22(3)21(24)16-11-10-15(2)20(12-16)25-4/h6-12,17H,5,13-14H2,1-4H3
InChIKeySOQLMPFYDFXXJX-UHFFFAOYSA-N
XLogP3.36
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-methoxy-N,4-dimethylbenzamide?
The IUPAC name of N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-methoxy-N,4-dimethylbenzamide (CID 24551493) is N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-methoxy-N,4-dimethylbenzamide.
What is the SMILES notation for N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-methoxy-N,4-dimethylbenzamide?
The canonical SMILES for N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-methoxy-N,4-dimethylbenzamide is CCN1CC(CN(C)C(=O)c2ccc(C)c(OC)c2)Oc2ccccc21.
What is the InChIKey of N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-methoxy-N,4-dimethylbenzamide?
The InChIKey is SOQLMPFYDFXXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-5-23-14-17(26-19-9-7-6-8-18(19)23)13-22(3)21(24)16-11-10-15(2)20(12-16)25-4/h6-12,17H,5,13-14H2,1-4H3.
What are the key properties of N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-methoxy-N,4-dimethylbenzamide?
N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-methoxy-N,4-dimethylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-methoxy-N,4-dimethylbenzamide is sourced from PubChem (CID 24551493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).