N,N-diethyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide

C16H20N2O3 — CID 153387459

IUPACN,N-diethyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
SMILESC=CC(=O)N1CCOc2cc(C(=O)N(CC)CC)ccc21
InChIInChI=1S/C16H20N2O3/c1-4-15(19)18-9-10-21-14-11-12(7-8-13(14)18)16(20)17(5-2)6-3/h4,7-8,11H,1,5-6,9-10H2,2-3H3
InChIKeyOGRFTSMFMIYSBR-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.08
Rot. Bonds4

About N,N-diethyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide

N,N-diethyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide (PubChem CID 153387459) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N,N-diethyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
PubChem CID153387459
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN,N-diethyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
SMILESC=CC(=O)N1CCOc2cc(C(=O)N(CC)CC)ccc21
InChIInChI=1S/C16H20N2O3/c1-4-15(19)18-9-10-21-14-11-12(7-8-13(14)18)16(20)17(5-2)6-3/h4,7-8,11H,1,5-6,9-10H2,2-3H3
InChIKeyOGRFTSMFMIYSBR-UHFFFAOYSA-N
XLogP2.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide?
The IUPAC name of N,N-diethyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide (CID 153387459) is N,N-diethyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide.
What is the SMILES notation for N,N-diethyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide?
The canonical SMILES for N,N-diethyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide is C=CC(=O)N1CCOc2cc(C(=O)N(CC)CC)ccc21.
What is the InChIKey of N,N-diethyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide?
The InChIKey is OGRFTSMFMIYSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-15(19)18-9-10-21-14-11-12(7-8-13(14)18)16(20)17(5-2)6-3/h4,7-8,11H,1,5-6,9-10H2,2-3H3.
What are the key properties of N,N-diethyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide?
N,N-diethyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-7-carboxamide is sourced from PubChem (CID 153387459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).