N-cyclohexyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide;molecular hydrogen

C18H24N2O3 — CID 163269888

IUPACN-cyclohexyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide;molecular hydrogen
SMILESC=CC(=O)N1CC(C(=O)NC2CCCCC2)Oc2ccccc21.[H][H]
InChIInChI=1S/C18H22N2O3.H2/c1-2-17(21)20-12-16(23-15-11-7-6-10-14(15)20)18(22)19-13-8-4-3-5-9-13;/h2,6-7,10-11,13,16H,1,3-5,8-9,12H2,(H,19,22);1H
InChIKeyRWEPDOFTKJWCSW-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.66
Rot. Bonds3

About N-cyclohexyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide;molecular hydrogen

N-cyclohexyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide;molecular hydrogen (PubChem CID 163269888) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-cyclohexyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-cyclohexyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide;molecular hydrogen
PubChem CID163269888
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-cyclohexyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide;molecular hydrogen
SMILESC=CC(=O)N1CC(C(=O)NC2CCCCC2)Oc2ccccc21.[H][H]
InChIInChI=1S/C18H22N2O3.H2/c1-2-17(21)20-12-16(23-15-11-7-6-10-14(15)20)18(22)19-13-8-4-3-5-9-13;/h2,6-7,10-11,13,16H,1,3-5,8-9,12H2,(H,19,22);1H
InChIKeyRWEPDOFTKJWCSW-UHFFFAOYSA-N
XLogP2.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
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-cyclohexyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide;molecular hydrogen?
The IUPAC name of N-cyclohexyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide;molecular hydrogen (CID 163269888) is N-cyclohexyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-cyclohexyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-cyclohexyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide;molecular hydrogen is C=CC(=O)N1CC(C(=O)NC2CCCCC2)Oc2ccccc21.[H][H].
What is the InChIKey of N-cyclohexyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide;molecular hydrogen?
The InChIKey is RWEPDOFTKJWCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3.H2/c1-2-17(21)20-12-16(23-15-11-7-6-10-14(15)20)18(22)19-13-8-4-3-5-9-13;/h2,6-7,10-11,13,16H,1,3-5,8-9,12H2,(H,19,22);1H.
What are the key properties of N-cyclohexyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide;molecular hydrogen?
N-cyclohexyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide;molecular hydrogen has a molecular weight of 316.40 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-prop-2-enoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 163269888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).